A0A2K6AHX7_MANLE Loading...

Glutamate metabotropic receptor 7

G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling inhibits adenylate cyclase activity.

AlphaFold DB , UniProt , Accession A0A2K6AHX7, Species MANLE (Mandrillus leucophaeus, Drill), Gene GRM7, Length 922 aa.

						>A0A2K6AHX7_MANLE|A0A2K6AHX7|GRM7
MVQLRKLLRVLTLMKFPCCVLEVLLCALAAAARGQEMYAPHSIRIEGDVTLGGLFPVHAKGPSGMPCGDIKRENGIHRLEAMLYALDQINSDPNLLPNVTLGARILDTCSRDTYALEQSLTFVQALIQKDTSDVRCTNGEPPVFVKPEKVVGVIGASGSSVSIMVANILRLFQIPQISYASTAPELSDDRRYDFFSRVVPPDSFQAQAMVDIVKALGWNYVSTLASEGSYGEKGVESFTQISKEAGGLCIAQSVRIPQERKDRTIDFDRIIKQLLDTPNSRAVVIFANDEDIKQILAAAKRADQVGHFLWVGSDSWGSKINPLHQHEDIAEGAITIQPKRATVEGFDAYFTSRTLENNRRNVWFAEYWEENFNCKLTISGSKKEDTDRKCTGQERIGKDSNYEQEGKVQFVIDAVYAMAHALHHMNKDLCADYRGVCPEMEQAGGKKLLKYIRNVNFNGSAGTPVMFNKNGDAPGRYDIFQYQTTNTSNPGYRLIGQWTDELQLNIEDMQWGKGVREIPPSVCTLPCKPGQRKKTQKGTPCCWTCEPCDGYQYQFDEMTCQHCPYDQRPNENRTGCQDIPIIKLEWHSPWAVIPVFLAMLGIIATIFVMATFIRYNDTPIVRASGRELSYVLLTGIFLCYIITFLMIAKPDVAVCSFRRVFLGLGMCISYAALLTKTNRIYRIFEQGKKSVTAPRLISPTSQLAITSSLISVQLLGVFIWFGVDPPNIIIDYDEHKTMNPEQARGVLKCDITDLQIICSLGYSILLMVTCTVYAIKTRGVPENFNEAKPIGFTMYTTCIVWLAFIPIFFGTAQSAEKLYIQTTTLTISMNLSASVALGMLYMPKVYIIIFHPELNVQKRKRSFKAVVTAATMSSRLSHKPSDRPNGEAKTELCENVDPNNCIPPVRKSVQKSVTWYTIPPTV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.9	Very low	44.7	Very low	228 Å²	228	154.5 Å²	154.5	100%	1.123	74%	0.741	S	S	*	*				0	4	0	-77.8	-177.9	175	0	0	115.8
2	V	45.8	Very low	44.8	Very low	125 Å²	125	149.6 Å²	149.6	76%	0.758	73%	0.728	S	S	*	*			trans	-89.7	-36.3	-172.2	-179.2	0	0	0	0	114.8
3	Q	42.4	Very low	44.9	Very low	175 Å²	175	148 Å²	148	82%	0.818	72%	0.724	S	S	*	*	S	Bend	trans	-70.9	-36.9	-177	-82.5	161.6	-52.8	0	0	114.3	R5 K6	Q3-R5 VanDerWaalsContact C-N 3.26Å; Q3-R5 PolarHBondContact O-N 3.27Å; Q3-K6 PolarHBondContact O-N 3.35Å
4	L	41.6	Very low	44.7	Very low	143 Å²	143	147.6 Å²	147.6	75%	0.749	72%	0.723	S	S	*	*	H	α-helix	trans	-64.2	-28	-174	-155.4	70.6	0	0	0	113.4	K6	L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 3.21Å
5	R	43.1	Very low	44.5	Very low	217 Å²	217	148.6 Å²	148.6	82%	0.819	72%	0.721	S	S	*	*	H	α-helix	trans	-74.1	-15.7	176	-95.9	-174.9	172.6	-178.7	-1.5	114.5	Q3	Q3-R5 VanDerWaalsContact C-N 3.26Å; Q3-R5 PolarHBondContact O-N 3.27Å
6	K	45.7	Very low	44.5	Very low	163 Å²	163	149.1 Å²	149.1	71%	0.709	72%	0.719	S	S	*	*	H	α-helix	trans	-82.5	-41.3	174.4	-77.8	-169.6	173.3	-175.2	0	112	Q3 L4 L8 R9	Q3-K6 PolarHBondContact O-N 3.35Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 3.21Å; K6-L8 PolarHBondContact O-N 3.47Å; K6-R9 PolarHBondContact O-N 3.06Å
7	L	43.7	Very low	44.8	Very low	119 Å²	119	144.8 Å²	144.8	62%	0.623	71%	0.706	S	S	*	*	H	α-helix	trans	-62.8	-42.4	-178.4	-147.8	76	0	0	0	112.1	R9 V10	L7-R9 VanDerWaalsContact C-N 3.28Å; L7-R9 PolarHBondContact O-N 2.99Å; L7-V10 PolarHBondContact O-N 3.44Å; L7-V10 VanDerWaalsContact O-N 3.13Å
8	L	45.1	Very low	45.1	Very low	132 Å²	132	141.1 Å²	141.1	69%	0.691	70%	0.696	S	S	*	*	H	α-helix	trans	-64.5	-27.8	-178.1	-133.1	75.4	0	0	0	114	K6 T12	K6-L8 PolarHBondContact O-N 3.47Å; L8-T12 PolarHBondContact O-OG1 3.13Å
9	R	44.8	Very low	45.6	Very low	198 Å²	198	137.7 Å²	137.7	75%	0.747	69%	0.686	S	S	*	*	H	α-helix	trans	-74.9	-23.9	176	-86.1	-173.1	168.8	-174.9	-3.8	113.5	K6 L7 T12	K6-R9 PolarHBondContact O-N 3.06Å; L7-R9 VanDerWaalsContact C-N 3.28Å; L7-R9 PolarHBondContact O-N 2.99Å; R9-T12 PolarHBondContact O-OG1 3.45Å
10	V	48.6	Very low	46.1	Very low	85 Å²	85	134.5 Å²	134.5	52%	0.515	68%	0.675	S	S	.	*	H	α-helix	trans	-76	-42	177.7	-179	0	0	0	0	110.7	L7 T12 L13 M14	L7-V10 PolarHBondContact O-N 3.44Å; L7-V10 VanDerWaalsContact O-N 3.13Å; V10-T12 VanDerWaalsContact C-N 3.33Å; V10-T12 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 3.39Å; V10-L13 VanDerWaalsContact O-N 3.08Å; V10-M14 PolarHBondContact O-N 3.26Å
11	L	42.9	Very low	46.7	Very low	115 Å²	115	132.9 Å²	132.9	60%	0.602	67%	0.667	S	S	*	*	H	α-helix	trans	-65.1	-32.3	177.9	-82.7	91.6	0	0	0	113.4	L13 M14	L11-L13 VanDerWaalsContact C-N 3.31Å; L11-M14 PolarHBondContact O-N 3.08Å
12	T	46.5	Very low	47	Very low	95 Å²	95	128.2 Å²	128.2	58%	0.583	64%	0.643	S	S	*	*	H	α-helix	trans	-69	-29	172.6	42.8	0	0	0	0	113.1	L8 R9 V10	L8-T12 PolarHBondContact O-OG1 3.13Å; R9-T12 PolarHBondContact O-OG1 3.45Å; V10-T12 VanDerWaalsContact C-N 3.33Å; V10-T12 PolarHBondContact O-N 3.37Å
13	L	46	Very low	47.7	Very low	129 Å²	129	127 Å²	127	68%	0.675	64%	0.636	S	S	*	*	H	α-helix	trans	-76.5	-21.1	177	-89.1	162.2	0	0	0	113.5	V10 L11 P17	V10-L13 PolarHBondContact O-N 3.39Å; V10-L13 VanDerWaalsContact O-N 3.08Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L13-P17 WeakPolarHBondContact O-CD 3.06Å
14	M	42.2	Very low	48.4	Very low	143 Å²	143	123 Å²	123	70%	0.704	62%	0.619	S	S	*	*	H	α-helix	trans	-89.7	-12.4	175.5	-71.7	-171.5	109	0	0	114.8	V10 L11	V10-M14 PolarHBondContact O-N 3.26Å; L11-M14 PolarHBondContact O-N 3.08Å
15	K	41	Very low	49	Very low	162 Å²	162	121.1 Å²	121.1	70%	0.704	61%	0.609	S	S	*	*	H	α-helix	trans	-83.4	-29.9	173.2	-78.7	-161.6	169.9	-166.6	0	114.3	C18 C19	K15-C18 PolarHBondContact O-N 2.94Å; K15-C19 PolarHBondContact O-N 3.21Å
16	F	44.9	Very low	49.4	Very low	157 Å²	157	115.1 Å²	115.1	69%	0.689	60%	0.6	S	S	*	*	H	α-helix	trans	-60	-45.1	176.2	-117.4	-92.2	0	0	0	113.1	C18 V20	F16-C18 PolarHBondContact O-N 3.48Å; F16-V20 HydrophobicContact CD1-CG2 4.21Å; F16-V20 WeakPolarHBondContact O-CB 3.26Å; F16-V20 VanDerWaalsContact O-CG2 3.28Å; F16-V20 WeakPolarHBondContact O-CG2 3.35Å; F16-V20 PolarHBondContact O-N 3.46Å
17	P	50.3	Low	49.7	Very low	76 Å²	76	110 Å²	110	49%	0.494	59%	0.588	S	S	.	*	H	α-helix	trans	-59.3	-42.3	174.4	-26.6	35.3	0	0	0	113.6	L13 L21	L13-P17 WeakPolarHBondContact O-CD 3.06Å; P17-L21 WeakPolarHBondContact O-CB 3.11Å; P17-L21 PolarHBondContact O-N 3Å
18	C	49.4	Very low	49.9	Very low	78 Å²	78	109.2 Å²	109.2	53%	0.527	58%	0.584	S	S	.	*	H	α-helix	trans	-66.7	-47.2	-179.7	-75.6	0	0	0	0	112.7	K15 F16 V20 L21 E22	K15-C18 PolarHBondContact O-N 2.94Å; F16-C18 PolarHBondContact O-N 3.48Å; C18-V20 PolarHBondContact O-N 3.33Å; C18-L21 CarbonylContact O-C 3.59Å; C18-L21 PolarHBondContact O-N 3.17Å; C18-E22 PolarHBondContact O-N 2.78Å
19	C	53.7	Low	49.8	Very low	76 Å²	76	105.5 Å²	105.5	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-69.1	-34.1	178.9	-64.6	0	0	0	0	112.2	K15 V23	K15-C19 PolarHBondContact O-N 3.21Å; C19-V23 WeakPolarHBondContact O-CB 3.28Å; C19-V23 VanDerWaalsContact O-CG2 3.26Å; C19-V23 WeakPolarHBondContact O-CG2 3.32Å; C19-V23 PolarHBondContact O-N 2.8Å
20	V	57.4	Low	49.6	Very low	74 Å²	74	99.2 Å²	99.2	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-68.6	-35.1	172.1	173	0	0	0	0	111.2	F16 C18 L24	F16-V20 HydrophobicContact CD1-CG2 4.21Å; F16-V20 WeakPolarHBondContact O-CB 3.26Å; F16-V20 VanDerWaalsContact O-CG2 3.28Å; F16-V20 WeakPolarHBondContact O-CG2 3.35Å; F16-V20 PolarHBondContact O-N 3.46Å; C18-V20 PolarHBondContact O-N 3.33Å; V20-L24 HydrophobicContact CG1-CD1 4.2Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.3Å
21	L	58.3	Low	49.1	Very low	100 Å²	100	98.1 Å²	98.1	52%	0.524	56%	0.562	S	S	.	*	H	α-helix	trans	-75.6	-34.5	177	-168.6	69.8	0	0	0	112.5	P17 C18 L24 L25	P17-L21 WeakPolarHBondContact O-CB 3.11Å; P17-L21 PolarHBondContact O-N 3Å; C18-L21 CarbonylContact O-C 3.59Å; C18-L21 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 2.63Å; L21-L25 HydrophobicContact CG-CD1 4.08Å; L21-L25 HydrophobicContact CG-CG 4.49Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.29Å
22	E	53.5	Low	48.6	Very low	131 Å²	131	96.8 Å²	96.8	61%	0.612	57%	0.568	S	S	*	*	H	α-helix	trans	-67.9	-40.8	169.7	-79.8	-172.5	139.5	0	0	111.1	C18 L25 C26	C18-E22 PolarHBondContact O-N 2.78Å; E22-L25 PolarHBondContact O-N 2.95Å; E22-C26 VanDerWaalsContact O-CB 3.31Å; E22-C26 WeakPolarHBondContact O-CB 3.48Å; E22-C26 PolarHBondContact O-N 3.35Å; E22-C26 PolarHBondContact O-SG 3.36Å; E22-C26 VanDerWaalsContact O-SG 3.35Å
23	V	61.6	Low	47.9	Very low	100 Å²	100	102.8 Å²	102.8	61%	0.606	58%	0.58	S	S	*	*	H	α-helix	trans	-67.4	-37.2	173.2	170.9	0	0	0	0	111.2	C19 A27	C19-V23 WeakPolarHBondContact O-CB 3.28Å; C19-V23 VanDerWaalsContact O-CG2 3.26Å; C19-V23 WeakPolarHBondContact O-CG2 3.32Å; C19-V23 PolarHBondContact O-N 2.8Å; V23-A27 WeakPolarHBondContact O-CB 3.14Å; V23-A27 PolarHBondContact O-N 2.76Å
24	L	56.3	Low	47.2	Very low	90 Å²	90	99.2 Å²	99.2	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-67.5	-38.5	170.8	-109.7	72.3	0	0	0	111.9	V20 L21 A27 L28	V20-L24 HydrophobicContact CG1-CD1 4.2Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 2.63Å; L24-A27 PolarHBondContact O-N 2.86Å; L24-L28 WeakPolarHBondContact O-CA 3.18Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 WeakPolarHBondContact O-CD1 3.2Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.46Å
25	L	54.7	Low	46.5	Very low	103 Å²	103	101.3 Å²	101.3	54%	0.539	58%	0.582	S	S	.	*	H	α-helix	trans	-72.3	-34.1	177.9	-79.8	166.3	0	0	0	111.6	L21 E22 A29	L21-L25 HydrophobicContact CG-CD1 4.08Å; L21-L25 HydrophobicContact CG-CG 4.49Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.29Å; E22-L25 PolarHBondContact O-N 2.95Å; L25-A29 WeakPolarHBondContact O-CA 3.27Å; L25-A29 WeakPolarHBondContact O-CB 3.1Å; L25-A29 PolarHBondContact O-N 3.43Å
26	C	50.6	Low	45.9	Very low	91 Å²	91	99.7 Å²	99.7	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-71	-38.5	169.9	-72.5	0	0	0	0	111.7	E22 A30	E22-C26 VanDerWaalsContact O-CB 3.31Å; E22-C26 WeakPolarHBondContact O-CB 3.48Å; E22-C26 PolarHBondContact O-N 3.35Å; E22-C26 PolarHBondContact O-SG 3.36Å; E22-C26 VanDerWaalsContact O-SG 3.35Å; C26-A30 WeakPolarHBondContact O-CB 3.17Å; C26-A30 PolarHBondContact O-N 3.16Å
27	A	51.8	Low	45	Very low	55 Å²	55	101.1 Å²	101.1	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-70.7	-36.7	175	0	0	0	0	0	112.4	V23 L24 A30 A31	V23-A27 WeakPolarHBondContact O-CB 3.14Å; V23-A27 PolarHBondContact O-N 2.76Å; L24-A27 PolarHBondContact O-N 2.86Å; A27-A30 PolarHBondContact O-N 2.73Å; A27-A31 VanDerWaalsContact O-CB 3.27Å; A27-A31 WeakPolarHBondContact O-CB 3.28Å; A27-A31 PolarHBondContact O-N 2.78Å
28	L	49	Very low	44	Very low	104 Å²	104	107.3 Å²	107.3	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-75.3	-33.4	174	-72.2	166	0	0	0	111.4	L24 A31 A32	L24-L28 WeakPolarHBondContact O-CA 3.18Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 WeakPolarHBondContact O-CD1 3.2Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.46Å; L28-A31 PolarHBondContact O-N 2.78Å; L28-A32 WeakPolarHBondContact O-CA 3.47Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 2.86Å
29	A	41.4	Very low	43.3	Very low	54 Å²	54	106.6 Å²	106.6	45%	0.446	60%	0.603	S	S	.	*	H	α-helix	trans	-73.1	-27.6	170.3	0	0	0	0	0	112.2	L25 R33	L25-A29 WeakPolarHBondContact O-CA 3.27Å; L25-A29 WeakPolarHBondContact O-CB 3.1Å; L25-A29 PolarHBondContact O-N 3.43Å; A29-R33 WeakPolarHBondContact O-CB 3.11Å; A29-R33 VanDerWaalsContact O-CG 3.25Å; A29-R33 WeakPolarHBondContact O-CG 3.07Å; A29-R33 PolarHBondContact O-N 2.82Å
30	A	40.6	Very low	43.1	Very low	66 Å²	66	106.7 Å²	106.7	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-74.1	-39.1	169.5	0	0	0	0	0	111.8	C26 A27 R33	C26-A30 WeakPolarHBondContact O-CB 3.17Å; C26-A30 PolarHBondContact O-N 3.16Å; A27-A30 PolarHBondContact O-N 2.73Å; A30-R33 PolarHBondContact O-N 3.17Å
31	A	38.3	Very low	43.7	Very low	61 Å²	61	108.1 Å²	108.1	50%	0.504	60%	0.604	S	S	.	*	H	α-helix	trans	-74	-31.7	175.3	0	0	0	0	0	113.2	A27 L28	A27-A31 VanDerWaalsContact O-CB 3.27Å; A27-A31 WeakPolarHBondContact O-CB 3.28Å; A27-A31 PolarHBondContact O-N 2.78Å; L28-A31 PolarHBondContact O-N 2.78Å
32	A	33.1	Very low	45	Very low	87 Å²	87	104.7 Å²	104.7	72%	0.719	59%	0.589	S	S	*	*	H	α-helix	trans	-82.8	-18.1	173.2	0	0	0	0	0	112.7	L28 G34	L28-A32 WeakPolarHBondContact O-CA 3.47Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 2.86Å; A32-G34 PolarHBondContact O-N 3.47Å
33	R	32.5	Very low	46.8	Very low	221 Å²	221	98.6 Å²	98.6	83%	0.834	56%	0.56	S	S	*	*	S	Bend	trans	-74.6	69.8	161.5	-87	-176.8	163.5	-175.1	-4.4	110.2	A29 A30	A29-R33 WeakPolarHBondContact O-CB 3.11Å; A29-R33 VanDerWaalsContact O-CG 3.25Å; A29-R33 WeakPolarHBondContact O-CG 3.07Å; A29-R33 PolarHBondContact O-N 2.82Å; A30-R33 PolarHBondContact O-N 3.17Å
34	G	31.3	Very low	48.2	Very low	55 Å²	55	98.5 Å²	98.5	57%	0.567	55%	0.549	S	S	*	.			trans	74.7	82.8	167.2	0	0	0	0	0	114.1	A32 E36	A32-G34 PolarHBondContact O-N 3.47Å; G34-E36 PolarHBondContact O-N 3.22Å
35	Q	27.4	Very low	49.9	Very low	186 Å²	186	96.2 Å²	96.2	87%	0.869	54%	0.537	S	S	*	.				-61.9	82.9	119.4	-69.8	-171.1	-87.4	0	0	107.7	M37	Q35-M37 PolarHBondContact O-N 3.44Å
36	E	26.9	Very low	51.6	Low	129 Å²	129	98.6 Å²	98.6	60%	0.603	55%	0.545	S	S	*	.			trans	-54.6	132.8	153.5	-85.3	-159.1	123.2	0	0	106.6	G34 Y38 R44	G34-E36 PolarHBondContact O-N 3.22Å; E36-Y38 VanDerWaalsContact C-N 3.27Å; E36-Y38 PolarHBondContact O-N 3.19Å; E36-R44 IonicContact OE1-CZ 3.62Å; E36-R44 IonicContact OE1-NH1 3.59Å; E36-R44 PolarHBondContact OE1-NH1 2.79Å
37	M	27.9	Very low	53.5	Low	187 Å²	187	95.6 Å²	95.6	92%	0.921	53%	0.529	S	S	*	.			trans	-67.6	92.5	178	-177.5	174.7	176.9	0	0	107.7	Q35 A39	Q35-M37 PolarHBondContact O-N 3.44Å; M37-A39 PolarHBondContact O-N 3.13Å
38	Y	29.4	Very low	55.4	Low	206 Å²	206	97.8 Å²	97.8	81%	0.808	53%	0.533	S	S	*	.			trans	-54.4	92.8	-167.5	-162.2	-84.9	0	0	0	110.8	E36 P40	E36-Y38 VanDerWaalsContact C-N 3.27Å; E36-Y38 PolarHBondContact O-N 3.19Å; Y38-P40 HydrophobicContact CD1-CG 4.38Å; Y38-P40 WeakPolarHBondContact O-CD 3.33Å; Y38-P40 WeakPolarHBondContact O-CG 3.46Å
39	A	34.3	Very low	57.5	Low	62 Å²	62	93.3 Å²	93.3	51%	0.512	51%	0.51	S	S	.	.			trans	-86.4	101	-174.7	0	0	0	0	0	108.6	M37 H41	M37-A39 PolarHBondContact O-N 3.13Å; A39-H41 PolarHBondContact O-N 2.92Å
40	P	49.5	Very low	60	Low	79 Å²	79	91.4 Å²	91.4	51%	0.513	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	15.3	-160.9	-16.9	33.2	0	0	0	115.5	Y38	Y38-P40 HydrophobicContact CD1-CG 4.38Å; Y38-P40 WeakPolarHBondContact O-CD 3.33Å; Y38-P40 WeakPolarHBondContact O-CG 3.46Å
41	H	69.6	Low	62.7	Low	104 Å²	104	88.2 Å²	88.2	48%	0.481	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	15.6	-163	-51.1	102.9	0	0	0	113.8	A39 W363	A39-H41 PolarHBondContact O-N 2.92Å; H41-W363 WeakPolarHBondContact O-CZ2 3Å
42	S	85.1	Confident	65.4	Low	28 Å²	28	85.3 Å²	85.3	20%	0.196	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.5	179.5	61.3	0	0	0	0	113.2	I105	S42-I105 CarbonylContact C-O 3.58Å; S42-I105 VanDerWaalsContact CA-O 3.32Å; S42-I105 WeakPolarHBondContact CA-O 3.33Å
43	I	90.8	Very high	68.4	Low	2 Å²	2	81.2 Å²	81.2	1%	0.01	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.5	167.5	-61.3	165.1	0	0	0	109.1	I45 L79 R104 I105 R360 N361 V362 W363	I43-I45 HydrophobicContact CG2-CD1 4.17Å; I43-I45 HydrophobicContact CG2-CG1 4.2Å; I43-L79 HydrophobicContact CD1-CD1 3.95Å; I43-L79 HydrophobicContact CD1-CD2 3.82Å; I43-L79 HydrophobicContact CD1-CG 4.33Å; I43-R104 CarbonylContact O-C 3.47Å; I43-R104 WeakPolarHBondContact O-CA 3.39Å; I43-I105 HydrophobicContact CB-CB 4.2Å; I43-I105 PolarHBondContact N-O 2.82Å; I43-I105 PolarHBondContact O-N 3.16Å; I43-R360 WeakPolarHBondContact CG2-O 3.42Å; I43-N361 HydrophobicContact CD1-CB 4.1Å; I43-V362 HydrophobicContact CG1-CG2 4.06Å; I43-W363 HydrophobicContact CD1-CE3 3.79Å; I43-W363 HydrophobicContact CD1-CZ3 3.66Å; I43-W363 HydrophobicContact CG1-CE3 4.13Å; I43-W363 HydrophobicContact CG1-CZ3 3.76Å
44	R	91.2	Very high	71.5	Confident	99 Å²	99	70.7 Å²	70.7	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.5	178.3	-172.3	179.5	-175.7	-134.3	-23.2	109.5	E36 E46 A103 E148	E36-R44 IonicContact OE1-CZ 3.62Å; E36-R44 IonicContact OE1-NH1 3.59Å; E36-R44 PolarHBondContact OE1-NH1 2.79Å; R44-E46 IonicContact NH2-OE1 2.7Å; R44-A103 CarbonylContact C-O 3.58Å; R44-E148 IonicContact CZ-OE1 2.72Å; R44-E148 IonicContact NE-OE1 3.22Å; R44-E148 PolarHBondContact NE-OE1 3.35Å; R44-E148 IonicContact NE-OE2 3.17Å; R44-E148 PolarHBondContact NE-OE2 2.72Å; R44-E148 IonicContact NH2-OE1 3.62Å; R44-E148 PolarHBondContact NH2-OE1 3.19Å
45	I	92.4	Very high	74.6	Confident	42 Å²	42	68 Å²	68	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.6	177	-53.9	-65.3	0	0	0	107	I43 L83 G102 A103 R360	I43-I45 HydrophobicContact CG2-CD1 4.17Å; I43-I45 HydrophobicContact CG2-CG1 4.2Å; I45-L83 HydrophobicContact CD1-CD2 4.49Å; I45-L83 HydrophobicContact CG1-CD2 4.14Å; I45-G102 CarbonylContact O-C 3.53Å; I45-G102 VanDerWaalsContact O-CA 3.24Å; I45-G102 WeakPolarHBondContact O-CA 3.48Å; I45-A103 HydrophobicContact CB-CB 4.37Å; I45-A103 PolarHBondContact N-O 3.38Å; I45-A103 PolarHBondContact O-N 2.83Å; I45-R360 HydrophobicContact CD1-CB 4.08Å
46	E	90.7	Very high	77.7	Confident	153 Å²	153	59.6 Å²	59.6	72%	0.715	30%	0.303	S	S	*	.			trans	-70.9	152.2	179.8	-59	-167.2	139.8	0	0	112	R44	R44-E46 IonicContact NH2-OE1 2.7Å
47	G	91.1	Very high	80.9	Confident	27 Å²	27	53.4 Å²	53.4	28%	0.278	27%	0.274	S	S	.	.			trans	172.3	165.6	176.7	0	0	0	0	0	111.3	V49 T100	G47-V49 PolarHBondContact O-N 2.71Å; G47-T100 VanDerWaalsContact CA-OG1 3.3Å; G47-T100 WeakPolarHBondContact CA-OG1 3.38Å
48	D	91.3	Very high	83.9	Confident	102 Å²	102	45.2 Å²	45.2	55%	0.545	23%	0.234	S	C	.	.	S	Bend	trans	-62.1	-29.8	-177.2	-55.9	-67.9	0	0	0	112.8	V99 T100 V436	D48-V99 HydrophobicContact CB-CG1 4.26Å; D48-T100 PolarHBondContact N-O 2.91Å; D48-T100 PolarHBondContact N-OG1 2.76Å; D48-T100 WeakPolarHBondContact OD2-CB 3.46Å; D48-T100 PolarHBondContact OD2-N 3Å; D48-T100 PolarHBondContact OD2-OG1 2.89Å; D48-V436 HydrophobicContact CB-CG2 4.22Å
49	V	93.2	Very high	86.6	Confident	10 Å²	10	36.1 Å²	36.1	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	113.4	179.4	-179.8	0	0	0	0	110.3	G47 V99 T100 L101 G102 V151 L422 V436	G47-V49 PolarHBondContact O-N 2.71Å; V49-V99 HydrophobicContact CG2-CG1 3.82Å; V49-T100 PolarHBondContact N-O 3.17Å; V49-T100 VanDerWaalsContact N-O 3.09Å; V49-L101 HydrophobicContact CB-CD2 3.98Å; V49-L101 HydrophobicContact CG1-CD2 4.24Å; V49-G102 PolarHBondContact O-N 3.19Å; V49-V151 HydrophobicContact CG1-CB 4.37Å; V49-V151 HydrophobicContact CG1-CG1 4.05Å; V49-V151 HydrophobicContact CG1-CG2 3.42Å; V49-V151 VanDerWaalsContact CG1-CG2 3.42Å; V49-L422 HydrophobicContact CG1-CD1 4.05Å; V49-L422 HydrophobicContact CG1-CD2 4.45Å; V49-V436 HydrophobicContact CG2-CG2 3.67Å
50	T	94.1	Very high	88.9	Confident	13 Å²	13	37.3 Å²	37.3	8%	0.08	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.2	-178.4	-37.6	0	0	0	0	112.6	R104 V150 V151	T50-R104 HydrophobicContact CG2-CB 4.16Å; T50-V150 HydrophobicContact CG2-CG2 4.5Å; T50-V150 WeakPolarHBondContact O-CA 3.07Å; T50-V151 PolarHBondContact O-N 3.45Å; T50-V151 VanDerWaalsContact O-N 3.09Å
51	L	96.5	Very high	90.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.7	169.7	-58.4	-173.1	0	0	0	111.7	M82 L86 L101 G102 A103 R104 V151 M418 L422	L51-M82 HydrophobicContact CB-CE 3.98Å; L51-L86 HydrophobicContact CD1-CD2 4.43Å; L51-L101 HydrophobicContact CD1-CD1 4.42Å; L51-G102 PolarHBondContact N-O 3.49Å; L51-A103 CarbonylContact O-C 3.32Å; L51-A103 VanDerWaalsContact O-CA 3.24Å; L51-A103 WeakPolarHBondContact O-CA 3.41Å; L51-R104 PolarHBondContact O-N 3.41Å; L51-V151 HydrophobicContact CD2-CG2 3.76Å; L51-M418 HydrophobicContact CD1-CB 4.4Å; L51-M418 HydrophobicContact CD1-CG 3.96Å; L51-M418 HydrophobicContact CD2-CG 3.67Å; L51-M418 HydrophobicContact CD2-SD 4.48Å; L51-M418 HydrophobicContact CG-CG 4.5Å; L51-L422 HydrophobicContact CD2-CD1 4.37Å
52	G	95.9	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.7	171.2	0	0	0	0	0	110.8	R104 G152 V153 I154	G52-R104 CarbonylContact C-O 3.6Å; G52-R104 WeakPolarHBondContact CA-O 3.42Å; G52-G152 PolarHBondContact N-O 2.75Å; G52-V153 CarbonylContact O-C 3.53Å; G52-V153 WeakPolarHBondContact O-CA 3.37Å; G52-I154 PolarHBondContact O-N 3.19Å
53	G	96.3	Very high	90.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.6	174.2	0	0	0	0	0	111.8	R104 I105 L106	G53-R104 PolarHBondContact N-O 2.76Å; G53-I105 WeakPolarHBondContact O-CA 3.21Å; G53-L106 PolarHBondContact O-N 3.05Å
54	L	96.4	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.2	176.9	-69.4	177.3	0	0	0	110.8	L106 T108 F122 V153 I154 A156 V165 Y179	L54-L106 HydrophobicContact CD2-CB 4.08Å; L54-L106 HydrophobicContact CD2-CD1 4.41Å; L54-T108 HydrophobicContact CB-CG2 3.92Å; L54-T108 HydrophobicContact CD2-CG2 4.07Å; L54-T108 HydrophobicContact CG-CG2 4.49Å; L54-F122 HydrophobicContact CD1-CE2 4.14Å; L54-F122 HydrophobicContact CD2-CE2 3.78Å; L54-F122 HydrophobicContact CD2-CZ 3.94Å; L54-F122 HydrophobicContact CG-CE2 3.85Å; L54-F122 HydrophobicContact CG-CZ 4.17Å; L54-V153 HydrophobicContact CD1-CG1 3.83Å; L54-V153 HydrophobicContact CG-CG1 4.02Å; L54-I154 PolarHBondContact N-O 2.86Å; L54-A156 HydrophobicContact CB-CB 4.01Å; L54-A156 HydrophobicContact CD1-CB 4.27Å; L54-V165 HydrophobicContact CD1-CB 4.43Å; L54-V165 HydrophobicContact CD1-CG1 3.74Å; L54-V165 HydrophobicContact CD1-CG2 4.07Å; L54-Y179 PolarHBondContact O-OH 3.4Å
55	F	95.8	Very high	89.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.7	-179.9	-59.9	-82.8	0	0	0	111.5	V57 R78 L79 M82 I105 L106 T108 Y179 V411	F55-V57 VanDerWaalsContact C-N 3.34Å; F55-V57 HydrophobicContact CB-CG2 4.27Å; F55-V57 PolarHBondContact O-N 3.05Å; F55-R78 HydrophobicContact CD1-CB 3.7Å; F55-R78 HydrophobicContact CE1-CB 4.01Å; F55-R78 VanDerWaalsContact CE1-O 3.32Å; F55-R78 WeakPolarHBondContact CE1-O 3.33Å; F55-L79 HydrophobicContact CB-CB 4.38Å; F55-L79 HydrophobicContact CD2-CB 4.12Å; F55-L79 HydrophobicContact CD2-CG 4.33Å; F55-L79 HydrophobicContact CG-CB 4.07Å; F55-M82 HydrophobicContact CE2-CB 4.2Å; F55-M82 HydrophobicContact CE2-SD 3.67Å; F55-M82 HydrophobicContact CZ-CB 3.74Å; F55-M82 HydrophobicContact CZ-CG 4.37Å; F55-M82 HydrophobicContact CZ-SD 3.77Å; F55-I105 HydrophobicContact CD2-CG2 3.5Å; F55-I105 VanDerWaalsContact CD2-CG2 3.5Å; F55-I105 HydrophobicContact CE2-CD1 4.5Å; F55-I105 HydrophobicContact CE2-CG2 3.83Å; F55-L106 PolarHBondContact N-O 3.16Å; F55-T108 VanDerWaalsContact C-OG1 3.25Å; F55-T108 PolarHBondContact O-N 3.25Å; F55-T108 PolarHBondContact O-OG1 2.93Å; F55-Y179 AromaticContact CD1-CE1 3.95Å; F55-Y179 HydrophobicContact CD1-CE1 3.95Å; F55-Y179 AromaticContact CD1-CZ 3.65Å; F55-Y179 WeakPolarHBondContact CD1-OH 3.47Å; F55-Y179 HydrophobicContact CE1-CD1 4.33Å; F55-Y179 AromaticContact CE1-CE1 3.52Å; F55-Y179 HydrophobicContact CE1-CE1 3.52Å; F55-Y179 AromaticContact CE1-CZ 3.69Å; F55-Y179 HydrophobicContact CZ-CE1 4.19Å; F55-V411 HydrophobicContact CE1-CG1 3.95Å; F55-V411 HydrophobicContact CE1-CG2 4.14Å; F55-V411 HydrophobicContact CZ-CG1 4.08Å
56	P	93.5	Very high	88.6	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.052	27%	0.273	C	S	.	.			trans	-89.1	75.1	170.6	35.6	-31.3	0	0	0	108.6	H58 N74 G75 T108	P56-H58 VanDerWaalsContact C-N 3.28Å; P56-N74 WeakPolarHBondContact CG-O 3.4Å; P56-G75 WeakPolarHBondContact O-CA 3.4Å; P56-T108 VanDerWaalsContact CA-OG1 3.29Å; P56-T108 WeakPolarHBondContact CA-OG1 3.14Å
57	V	93.6	Very high	88.5	Confident	0 Å²	0	38 Å²	38	0%	0	25%	0.249	C	C	.	.			trans	-64.7	-38.9	178.4	-172.9	0	0	0	0	109.4	F55 I70 K71 I76 L79 D107 W363	F55-V57 VanDerWaalsContact C-N 3.34Å; F55-V57 HydrophobicContact CB-CG2 4.27Å; F55-V57 PolarHBondContact O-N 3.05Å; V57-I70 HydrophobicContact CG1-CD1 4.22Å; V57-I70 HydrophobicContact CG1-CG1 4.17Å; V57-K71 PolarHBondContact O-N 3.35Å; V57-I76 HydrophobicContact CG1-CD1 3.75Å; V57-I76 HydrophobicContact CG1-CG1 4.35Å; V57-L79 HydrophobicContact CG2-CD1 3.68Å; V57-D107 HydrophobicContact CB-CB 4.19Å; V57-D107 HydrophobicContact CG2-CB 4.16Å; V57-D107 PolarHBondContact N-OD1 2.04Å; V57-W363 HydrophobicContact CG1-CB 3.94Å; V57-W363 HydrophobicContact CG1-CD2 3.98Å; V57-W363 HydrophobicContact CG1-CE3 4.33Å; V57-W363 HydrophobicContact CG1-CG 3.82Å; V57-W363 HydrophobicContact CG2-CD2 4.42Å; V57-W363 HydrophobicContact CG2-CE3 4.1Å; V57-W363 HydrophobicContact CG2-CZ3 4.23Å
58	H	91.1	Very high	88.4	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.065	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	159.2	174.5	-62.9	92.3	0	0	0	114.6	P56 C67 G68 D107 C109 S110 W363 E366	P56-H58 VanDerWaalsContact C-N 3.28Å; H58-C67 HydrophobicContact CB-CB 3.86Å; H58-G68 WeakPolarHBondContact CB-O 3.39Å; H58-G68 PolarHBondContact CD2-O 2.79Å; H58-D107 IonicContact CE1-OD2 3.84Å; H58-D107 IonicContact CG-OD2 3.45Å; H58-D107 PolarHBondContact N-OD1 3.46Å; H58-D107 PolarHBondContact N-OD2 2.94Å; H58-D107 IonicContact ND1-OD2 2.66Å; H58-D107 PolarHBondContact ND1-OD2 3.27Å; H58-C109 HydrophobicContact CB-CB 4.45Å; H58-C109 CarbonylContact O-C 3.4Å; H58-C109 VanDerWaalsContact O-C 3.26Å; H58-C109 WeakPolarHBondContact O-CA 3.25Å; H58-S110 PolarHBondContact O-N 2.77Å; H58-S110 PolarHBondContact O-OG 3.42Å; H58-W363 AromaticContact CE1-CD1 3.68Å; H58-W363 AromaticContact CE1-NE1 3.86Å; H58-E366 IonicContact CE1-OE2 2.67Å; H58-E366 IonicContact NE2-OE1 3.76Å; H58-E366 IonicContact NE2-OE2 3.57Å; H58-E366 PolarHBondContact NE2-OE2 3.13Å
59	A	85.7	Confident	88.2	Confident	15 Å²	15	39.1 Å²	39.1	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	168	165.3	0	0	0	0	0	112.3	G61 G68 D69 C109	A59-G61 PolarHBondContact O-N 2.82Å; A59-G68 PolarHBondContact O-N 2.83Å; A59-D69 WeakPolarHBondContact CB-O 3.18Å; A59-D69 PolarHBondContact N-O 2.71Å; A59-C109 CarbonylContact C-O 3.58Å
60	K	83.1	Confident	88.1	Confident	87 Å²	87	39.3 Å²	39.3	38%	0.378	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.8	173.4	-177.8	178.8	177.5	-177.8	0	108.6	C109 R111	K60-C109 WeakPolarHBondContact CA-O 3.37Å; K60-C109 PolarHBondContact N-O 3.47Å; K60-R111 HydrophobicContact CG-CB 4.48Å
61	G	82.1	Confident	87.8	Confident	13 Å²	13	40.6 Å²	40.6	13%	0.134	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-65	158.3	-178.2	0	0	0	0	0	114.1	A59 P66 C67	A59-G61 PolarHBondContact O-N 2.82Å; G61-P66 PolarHBondContact N-O 3.43Å; G61-C67 VanDerWaalsContact CA-O 3.31Å; G61-C67 WeakPolarHBondContact CA-O 3.02Å
62	P	79.3	Confident	87.3	Confident	85 Å²	85	44.9 Å²	44.9	55%	0.552	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-64.9	161.9	169.8	30.2	-35.9	0	0	0	111.3	G64 M65	P62-G64 PolarHBondContact O-N 2.69Å; P62-M65 HydrophobicContact CG-CB 4.44Å; P62-M65 HydrophobicContact CG-SD 4.32Å; P62-M65 PolarHBondContact O-N 3.37Å
63	S	73.3	Confident	86.7	Confident	137 Å²	137	49 Å²	49	96%	0.958	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	112.7	-176.1	-55.3	0	0	0	0	112.8
64	G	75.3	Confident	86.1	Confident	83 Å²	83	50.6 Å²	50.6	86%	0.856	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.2	-20.4	-176.6	0	0	0	0	0	114.5	P62	P62-G64 PolarHBondContact O-N 2.69Å
65	M	82.9	Confident	85.8	Confident	118 Å²	118	50.6 Å²	50.6	58%	0.581	30%	0.303	S	S	*	.			trans	-106.4	146.5	174.3	-67.1	-178.5	177.7	0	0	111.1	P62 R111	P62-M65 HydrophobicContact CG-CB 4.44Å; P62-M65 HydrophobicContact CG-SD 4.32Å; P62-M65 PolarHBondContact O-N 3.37Å; M65-R111 PolarHBondContact O-NH1 3.49Å
66	P	80.3	Confident	85.7	Confident	53 Å²	53	50.6 Å²	50.6	34%	0.344	30%	0.303	S	S	.	.	S	Bend	trans	-73.5	-38.3	177	28.3	-32.2	0	0	0	112.5	G61 Y114	G61-P66 PolarHBondContact N-O 3.43Å; P66-Y114 HydrophobicContact CB-CD2 3.77Å; P66-Y114 HydrophobicContact CB-CE2 3.94Å; P66-Y114 HydrophobicContact CB-CG 4.25Å; P66-Y114 HydrophobicContact CG-CE2 4.49Å
67	C	88.8	Confident	85.8	Confident	33 Å²	33	50.5 Å²	50.5	22%	0.223	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151	-165.5	-47.2	0	0	0	0	109.7	H58 G61 C109	H58-C67 HydrophobicContact CB-CB 3.86Å; G61-C67 VanDerWaalsContact CA-O 3.31Å; G61-C67 WeakPolarHBondContact CA-O 3.02Å; C67-C109 HydrophobicContact CB-CB 3.7Å; C67-C109 WeakPolarHBondContact CB-SG 3.05Å; C67-C109 WeakPolarHBondContact SG-CB 3.47Å; C67-C109 CovalentContact SG-SG 2.03Å; C67-C109 PolarHBondContact SG-SG 2.95Å
68	G	87.8	Confident	85.9	Confident	21 Å²	21	50.9 Å²	50.9	22%	0.216	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-149	171.5	0	0	0	0	0	110.6	H58 A59	H58-G68 WeakPolarHBondContact CB-O 3.39Å; H58-G68 PolarHBondContact CD2-O 2.79Å; A59-G68 PolarHBondContact O-N 2.83Å
69	D	87.8	Confident	86.1	Confident	132 Å²	132	50.2 Å²	50.2	71%	0.706	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	155.2	-173	-38.5	-63.2	0	0	0	113.6	A59	A59-D69 WeakPolarHBondContact CB-O 3.18Å; A59-D69 PolarHBondContact N-O 2.71Å
70	I	89.9	Confident	86.6	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.5	-174.3	-166.9	167.8	0	0	0	113	V57 R72 I76 W363 E366 E370	V57-I70 HydrophobicContact CG1-CD1 4.22Å; V57-I70 HydrophobicContact CG1-CG1 4.17Å; I70-R72 PolarHBondContact O-N 3.21Å; I70-I76 HydrophobicContact CD1-CD1 4.19Å; I70-I76 HydrophobicContact CD1-CG1 4.08Å; I70-I76 HydrophobicContact CG1-CG1 4.27Å; I70-W363 HydrophobicContact CD1-CB 4.23Å; I70-E366 HydrophobicContact CB-CG 4.31Å; I70-E366 HydrophobicContact CD1-CB 4.03Å; I70-E366 HydrophobicContact CD1-CG 3.85Å; I70-E366 HydrophobicContact CG2-CG 4.22Å; I70-E370 HydrophobicContact CG2-CB 3.73Å; I70-E370 HydrophobicContact CG2-CG 3.71Å
71	K	88.6	Confident	87.2	Confident	40 Å²	40	45.4 Å²	45.4	17%	0.174	28%	0.276	C	S	.	.			trans	-86.6	87.6	-178.8	-73.4	-173.7	165.6	179.2	0	110.9	V57 N74 G75 I76 S110 E290	V57-K71 PolarHBondContact O-N 3.35Å; K71-N74 HydrophobicContact CB-CB 4.26Å; K71-N74 HydrophobicContact CD-CB 4.34Å; K71-G75 CarbonylContact O-C 3.49Å; K71-G75 WeakPolarHBondContact O-CA 3.48Å; K71-G75 PolarHBondContact O-N 2.84Å; K71-I76 PolarHBondContact O-N 2.94Å; K71-S110 PolarHBondContact NZ-OG 3.38Å; K71-S110 VanDerWaalsContact NZ-OG 3.07Å; K71-E290 IonicContact NZ-OE1 2.77Å
72	R	86.8	Confident	88	Confident	90 Å²	90	44.8 Å²	44.8	34%	0.34	27%	0.27	S	S	.	.	I	π-helix	trans	-44.8	-66.6	177.1	-69.1	-170.3	-88.4	140.9	-8	113.5	I70 I76 H77 Y367 E370	I70-R72 PolarHBondContact O-N 3.21Å; R72-I76 WeakPolarHBondContact O-CB 3.26Å; R72-I76 PolarHBondContact O-N 3.46Å; R72-H77 PolarHBondContact O-CD2 3.49Å; R72-H77 VanDerWaalsContact O-CD2 3.31Å; R72-H77 PolarHBondContact O-N 3.03Å; R72-Y367 HydrophobicContact CB-CD2 4.2Å; R72-Y367 HydrophobicContact CB-CE2 3.85Å; R72-Y367 HydrophobicContact CG-CD2 3.87Å; R72-Y367 HydrophobicContact CG-CE2 3.85Å; R72-E370 HydrophobicContact CG-CG 4.03Å; R72-E370 IonicContact NE-OE1 3.25Å; R72-E370 IonicContact NH2-OE1 2.72Å
73	E	83.1	Confident	88.8	Confident	87 Å²	87	40.8 Å²	40.8	41%	0.407	24%	0.244	S	C	.	.	I	π-helix	trans	-74.8	-62.3	179.3	-66.1	155.3	-141.3	0	0	112	G75 H77 E405	E73-G75 PolarHBondContact O-N 3.46Å; E73-G75 VanDerWaalsContact O-N 3.09Å; E73-H77 WeakPolarHBondContact O-CB 3.05Å; E73-E405 HydrophobicContact CB-CB 4.21Å; E73-E405 HydrophobicContact CB-CG 4.08Å
74	N	83.2	Confident	89.9	Confident	33 Å²	33	35.6 Å²	35.6	18%	0.176	20%	0.203	C	C	.	.	I	π-helix	trans	-63.7	-17.9	-171.6	-91.8	-48.4	0	0	0	114.3	P56 K71 R78 D289	P56-N74 WeakPolarHBondContact CG-O 3.4Å; K71-N74 HydrophobicContact CB-CB 4.26Å; K71-N74 HydrophobicContact CD-CB 4.34Å; N74-R78 WeakPolarHBondContact O-CD 3.39Å; N74-R78 PolarHBondContact O-NH1 3.39Å; N74-R78 PolarHBondContact OD1-NH1 2.91Å; N74-R78 PolarHBondContact OD1-NH2 3.04Å; N74-D289 PolarHBondContact ND2-OD2 3.35Å
75	G	90.9	Very high	91	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-115.4	-68.4	-177.8	0	0	0	0	0	112.6	P56 K71 E73 R78 L79	P56-G75 WeakPolarHBondContact O-CA 3.4Å; K71-G75 CarbonylContact O-C 3.49Å; K71-G75 WeakPolarHBondContact O-CA 3.48Å; K71-G75 PolarHBondContact O-N 2.84Å; E73-G75 PolarHBondContact O-N 3.46Å; E73-G75 VanDerWaalsContact O-N 3.09Å; G75-R78 PolarHBondContact O-N 2.75Å; G75-L79 PolarHBondContact O-N 3.01Å
76	I	93.9	Very high	91.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-67.2	-40.9	-170	-68	-69.2	0	0	0	112.9	V57 I70 K71 R72 R78 L79 E80 F350 W363 Y367	V57-I76 HydrophobicContact CG1-CD1 3.75Å; V57-I76 HydrophobicContact CG1-CG1 4.35Å; I70-I76 HydrophobicContact CD1-CD1 4.19Å; I70-I76 HydrophobicContact CD1-CG1 4.08Å; I70-I76 HydrophobicContact CG1-CG1 4.27Å; K71-I76 PolarHBondContact O-N 2.94Å; R72-I76 WeakPolarHBondContact O-CB 3.26Å; R72-I76 PolarHBondContact O-N 3.46Å; I76-R78 PolarHBondContact O-N 3.47Å; I76-L79 PolarHBondContact O-N 3.21Å; I76-E80 HydrophobicContact CG2-CG 4.25Å; I76-E80 WeakPolarHBondContact O-CB 3.12Å; I76-E80 WeakPolarHBondContact O-CG 3.11Å; I76-E80 PolarHBondContact O-N 3.26Å; I76-F350 HydrophobicContact CG2-CE2 4.2Å; I76-F350 HydrophobicContact CG2-CZ 4.28Å; I76-W363 HydrophobicContact CD1-CB 3.97Å; I76-Y367 HydrophobicContact CB-CD2 3.89Å; I76-Y367 HydrophobicContact CB-CE2 4.35Å; I76-Y367 HydrophobicContact CB-CG 4.43Å; I76-Y367 HydrophobicContact CG1-CD2 3.96Å; I76-Y367 HydrophobicContact CG1-CG 4.31Å; I76-Y367 HydrophobicContact CG2-CD1 4.42Å; I76-Y367 HydrophobicContact CG2-CD2 3.75Å; I76-Y367 HydrophobicContact CG2-CE2 4.1Å; I76-Y367 HydrophobicContact CG2-CG 3.94Å
77	H	94.3	Very high	92.4	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.028	13%	0.133	C	C	.	.	I	π-helix	trans	-59.8	-38.5	176	-62.9	-174.8	0	0	0	111.2	R72 E73 A81 F346 F350 Y402 E403 E405 V408	R72-H77 PolarHBondContact O-CD2 3.49Å; R72-H77 VanDerWaalsContact O-CD2 3.31Å; R72-H77 PolarHBondContact O-N 3.03Å; E73-H77 WeakPolarHBondContact O-CB 3.05Å; H77-A81 WeakPolarHBondContact O-CB 3.12Å; H77-A81 PolarHBondContact O-N 3.34Å; H77-F346 VanDerWaalsContact O-CZ 3.3Å; H77-F346 WeakPolarHBondContact O-CZ 3.21Å; H77-F350 AromaticContact CD2-CE1 3.82Å; H77-F350 AromaticContact CD2-CE2 3.78Å; H77-F350 AromaticContact CD2-CZ 3.32Å; H77-F350 WeakPolarHBondContact CD2-CZ 3.39Å; H77-F350 AromaticContact NE2-CE1 3.7Å; H77-F350 AromaticContact NE2-CZ 3.64Å; H77-Y402 AromaticContact CE1-CD2 3.95Å; H77-Y402 AromaticContact CE1-CE2 3.62Å; H77-Y402 AromaticContact NE2-CE2 3.83Å; H77-E403 PolarHBondContact CE1-O 2.89Å; H77-E405 HydrophobicContact CB-CB 4.08Å; H77-V408 HydrophobicContact CB-CG2 4.05Å
78	R	95.1	Very high	92.7	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-71.9	-40.8	179.3	-62.1	-172.2	-174.1	139.8	-3.3	112.8	F55 N74 G75 I76 A81 M82 S157 E405 V411	F55-R78 HydrophobicContact CD1-CB 3.7Å; F55-R78 HydrophobicContact CE1-CB 4.01Å; F55-R78 VanDerWaalsContact CE1-O 3.32Å; F55-R78 WeakPolarHBondContact CE1-O 3.33Å; N74-R78 WeakPolarHBondContact O-CD 3.39Å; N74-R78 PolarHBondContact O-NH1 3.39Å; N74-R78 PolarHBondContact OD1-NH1 2.91Å; N74-R78 PolarHBondContact OD1-NH2 3.04Å; G75-R78 PolarHBondContact O-N 2.75Å; I76-R78 PolarHBondContact O-N 3.47Å; R78-A81 WeakPolarHBondContact O-CB 3.5Å; R78-A81 PolarHBondContact O-N 3.16Å; R78-M82 PolarHBondContact O-N 3.06Å; R78-S157 PolarHBondContact NH1-OG 2.97Å; R78-E405 IonicContact CZ-OE1 2.75Å; R78-E405 IonicContact CZ-OE2 3.56Å; R78-E405 IonicContact NE-OE1 2.76Å; R78-E405 IonicContact NE-OE2 2.79Å; R78-E405 PolarHBondContact NE-OE2 3.23Å; R78-E405 IonicContact NH2-OE1 3.19Å; R78-E405 PolarHBondContact NH2-OE1 3.35Å; R78-E405 IonicContact NH2-OE2 2.75Å; R78-E405 PolarHBondContact NH2-OE2 3.1Å; R78-V411 HydrophobicContact CB-CG2 3.96Å; R78-V411 HydrophobicContact CG-CG2 4.26Å
79	L	95.9	Very high	93.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-47.9	175	179.7	159.5	0	0	0	111	I43 F55 V57 G75 I76 A81 M82 L83 I105 N361 W363	I43-L79 HydrophobicContact CD1-CD1 3.95Å; I43-L79 HydrophobicContact CD1-CD2 3.82Å; I43-L79 HydrophobicContact CD1-CG 4.33Å; F55-L79 HydrophobicContact CB-CB 4.38Å; F55-L79 HydrophobicContact CD2-CB 4.12Å; F55-L79 HydrophobicContact CD2-CG 4.33Å; F55-L79 HydrophobicContact CG-CB 4.07Å; V57-L79 HydrophobicContact CG2-CD1 3.68Å; G75-L79 PolarHBondContact O-N 3.01Å; I76-L79 PolarHBondContact O-N 3.21Å; L79-A81 VanDerWaalsContact C-N 3.27Å; L79-A81 PolarHBondContact O-N 3.05Å; L79-M82 PolarHBondContact O-N 3.21Å; L79-L83 HydrophobicContact CD2-CD1 3.75Å; L79-L83 HydrophobicContact CD2-CG 4.36Å; L79-L83 PolarHBondContact O-N 3.36Å; L79-I105 HydrophobicContact CD1-CG2 4.11Å; L79-I105 HydrophobicContact CG-CD1 4.41Å; L79-I105 HydrophobicContact CG-CG2 4.23Å; L79-N361 HydrophobicContact CD2-CB 4.48Å; L79-W363 HydrophobicContact CD1-CE3 3.66Å; L79-W363 HydrophobicContact CD1-CZ3 3.72Å
80	E	96.2	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-30.5	176.9	-74.5	-66.2	155.3	0	0	112.4	I76 M82 L83 Y84 F346 Y349 F350 N358 N361	I76-E80 HydrophobicContact CG2-CG 4.25Å; I76-E80 WeakPolarHBondContact O-CB 3.12Å; I76-E80 WeakPolarHBondContact O-CG 3.11Å; I76-E80 PolarHBondContact O-N 3.26Å; E80-M82 VanDerWaalsContact C-N 3.33Å; E80-M82 PolarHBondContact O-N 2.7Å; E80-L83 PolarHBondContact O-N 2.73Å; E80-Y84 WeakPolarHBondContact O-CB 3.36Å; E80-Y84 PolarHBondContact O-N 3.1Å; E80-F346 HydrophobicContact CB-CE2 4.11Å; E80-F346 HydrophobicContact CB-CZ 4.08Å; E80-Y349 HydrophobicContact CB-CE1 4.2Å; E80-Y349 WeakPolarHBondContact OE2-CE1 3.41Å; E80-Y349 PolarHBondContact OE2-OH 3.24Å; E80-F350 HydrophobicContact CB-CD2 3.93Å; E80-F350 HydrophobicContact CB-CE2 3.98Å; E80-F350 HydrophobicContact CG-CD2 4.16Å; E80-F350 HydrophobicContact CG-CE2 3.86Å; E80-N358 PolarHBondContact OE1-ND2 2.81Å; E80-N361 VanDerWaalsContact OE1-CB 3.27Å; E80-N361 WeakPolarHBondContact OE1-CB 3.48Å; E80-N361 PolarHBondContact OE1-ND2 2.83Å
81	A	96.9	Very high	93.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-34.2	174.2	0	0	0	0	0	113	H77 R78 L79 A85 F346 V408 V411 I412	H77-A81 WeakPolarHBondContact O-CB 3.12Å; H77-A81 PolarHBondContact O-N 3.34Å; R78-A81 WeakPolarHBondContact O-CB 3.5Å; R78-A81 PolarHBondContact O-N 3.16Å; L79-A81 VanDerWaalsContact C-N 3.27Å; L79-A81 PolarHBondContact O-N 3.05Å; A81-A85 WeakPolarHBondContact O-CB 3.47Å; A81-A85 PolarHBondContact O-N 3.16Å; A81-F346 HydrophobicContact CB-CD2 4.35Å; A81-F346 HydrophobicContact CB-CE2 3.96Å; A81-F346 HydrophobicContact CB-CZ 4.22Å; A81-V408 HydrophobicContact CB-CB 4.33Å; A81-V408 HydrophobicContact CB-CG1 3.91Å; A81-V408 HydrophobicContact CB-CG2 4.17Å; A81-V411 HydrophobicContact CB-CB 4.1Å; A81-V411 HydrophobicContact CB-CG1 4.16Å; A81-I412 HydrophobicContact CB-CG1 4.14Å
82	M	97.4	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-42.5	171.2	177.4	171.8	-177.4	0	0	111.6	L51 F55 R78 L79 E80 A85 L86 A103 I105 I154 V411 V415	L51-M82 HydrophobicContact CB-CE 3.98Å; F55-M82 HydrophobicContact CE2-CB 4.2Å; F55-M82 HydrophobicContact CE2-SD 3.67Å; F55-M82 HydrophobicContact CZ-CB 3.74Å; F55-M82 HydrophobicContact CZ-CG 4.37Å; F55-M82 HydrophobicContact CZ-SD 3.77Å; R78-M82 PolarHBondContact O-N 3.06Å; L79-M82 PolarHBondContact O-N 3.21Å; E80-M82 VanDerWaalsContact C-N 3.33Å; E80-M82 PolarHBondContact O-N 2.7Å; M82-A85 PolarHBondContact O-N 2.73Å; M82-L86 HydrophobicContact CE-CD1 4.3Å; M82-L86 HydrophobicContact CG-CD1 4.03Å; M82-L86 WeakPolarHBondContact O-CD1 3.47Å; M82-L86 VanDerWaalsContact O-CG 3.25Å; M82-L86 WeakPolarHBondContact O-CG 3.1Å; M82-L86 PolarHBondContact O-N 3.32Å; M82-A103 HydrophobicContact CE-CB 4.05Å; M82-I105 HydrophobicContact CG-CD1 4.48Å; M82-I105 HydrophobicContact SD-CD1 4.13Å; M82-I105 HydrophobicContact SD-CG1 4.29Å; M82-I154 HydrophobicContact CE-CB 4.47Å; M82-I154 HydrophobicContact CE-CG1 4.31Å; M82-I154 HydrophobicContact SD-CB 4.34Å; M82-V411 HydrophobicContact CB-CG1 3.93Å; M82-V415 HydrophobicContact CB-CG2 4.32Å; M82-V415 HydrophobicContact CG-CG2 3.9Å
83	L	96.7	Very high	94.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-40	177	-64.6	178	0	0	0	112	I45 L79 E80 L86 D87 I105 R360 N361	I45-L83 HydrophobicContact CD1-CD2 4.49Å; I45-L83 HydrophobicContact CG1-CD2 4.14Å; L79-L83 HydrophobicContact CD2-CD1 3.75Å; L79-L83 HydrophobicContact CD2-CG 4.36Å; L79-L83 PolarHBondContact O-N 3.36Å; E80-L83 PolarHBondContact O-N 2.73Å; L83-L86 PolarHBondContact O-N 3.48Å; L83-D87 VanDerWaalsContact O-CG 3.29Å; L83-D87 PolarHBondContact O-N 3.41Å; L83-I105 HydrophobicContact CD2-CD1 3.78Å; L83-I105 HydrophobicContact CG-CD1 4.15Å; L83-R360 HydrophobicContact CD1-CG 4.33Å; L83-N361 HydrophobicContact CD1-CB 4.46Å
84	Y	96.6	Very high	94.9	Very high	28 Å²	28	30.3 Å²	30.3	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-48.7	171.9	169.4	-111.9	0	0	0	112.1	E80 L86 D87 Q88 F346 Y349 I412	E80-Y84 WeakPolarHBondContact O-CB 3.36Å; E80-Y84 PolarHBondContact O-N 3.1Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 2.97Å; Y84-D87 WeakPolarHBondContact O-CB 3.39Å; Y84-D87 PolarHBondContact O-N 3.27Å; Y84-D87 VanDerWaalsContact O-N 3.16Å; Y84-Q88 HydrophobicContact CD2-CG 4.03Å; Y84-Q88 HydrophobicContact CE1-CG 4.15Å; Y84-Q88 HydrophobicContact CE2-CG 3.59Å; Y84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y84-Q88 PolarHBondContact O-N 3.23Å; Y84-F346 HydrophobicContact CD1-CB 4.19Å; Y84-F346 AromaticContact CD1-CD2 3.85Å; Y84-F346 HydrophobicContact CD1-CD2 3.85Å; Y84-F346 HydrophobicContact CE1-CB 4.14Å; Y84-F346 AromaticContact CG-CD2 3.94Å; Y84-F346 HydrophobicContact CG-CD2 3.94Å; Y84-Y349 HydrophobicContact CD2-CD1 4.36Å; Y84-Y349 AromaticContact CD2-CD2 3.48Å; Y84-Y349 HydrophobicContact CD2-CD2 3.48Å; Y84-Y349 VanDerWaalsContact CD2-CD2 3.48Å; Y84-Y349 HydrophobicContact CD2-CE2 4.2Å; Y84-Y349 AromaticContact CD2-CG 3.58Å; Y84-Y349 HydrophobicContact CD2-CG 3.58Å; Y84-Y349 HydrophobicContact CE2-CD2 4.37Å; Y84-Y349 HydrophobicContact CE2-CG 4.35Å; Y84-Y349 HydrophobicContact CG-CD1 4.44Å; Y84-Y349 HydrophobicContact CG-CD2 4.18Å; Y84-Y349 HydrophobicContact CG-CG 4.09Å; Y84-I412 HydrophobicContact CD1-CD1 3.88Å; Y84-I412 HydrophobicContact CD1-CG1 4.33Å; Y84-I412 HydrophobicContact CE1-CD1 4.02Å
85	A	97.3	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-40.8	178.7	0	0	0	0	0	112	A81 M82 Q88 I89 I412 V415 Y416	A81-A85 WeakPolarHBondContact O-CB 3.47Å; A81-A85 PolarHBondContact O-N 3.16Å; M82-A85 PolarHBondContact O-N 2.73Å; A85-Q88 PolarHBondContact O-N 2.87Å; A85-I89 WeakPolarHBondContact O-CB 3.41Å; A85-I89 VanDerWaalsContact O-CD1 3.31Å; A85-I89 WeakPolarHBondContact O-CD1 3.35Å; A85-I89 WeakPolarHBondContact O-CG1 3.46Å; A85-I89 PolarHBondContact O-N 2.72Å; A85-I412 HydrophobicContact CB-CG1 4.41Å; A85-I412 HydrophobicContact CB-CG2 4.25Å; A85-V415 HydrophobicContact CB-CB 3.88Å; A85-V415 HydrophobicContact CB-CG1 3.9Å; A85-V415 HydrophobicContact CB-CG2 4.26Å; A85-Y416 HydrophobicContact CB-CE2 4.4Å
86	L	97.1	Very high	95.5	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-43.8	174.5	-69.2	162.8	0	0	0	112.1	L51 M82 L83 Y84 Q88 I89 N90 L101 A103 V415	L51-L86 HydrophobicContact CD1-CD2 4.43Å; M82-L86 HydrophobicContact CE-CD1 4.3Å; M82-L86 HydrophobicContact CG-CD1 4.03Å; M82-L86 WeakPolarHBondContact O-CD1 3.47Å; M82-L86 VanDerWaalsContact O-CG 3.25Å; M82-L86 WeakPolarHBondContact O-CG 3.1Å; M82-L86 PolarHBondContact O-N 3.32Å; L83-L86 PolarHBondContact O-N 3.48Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 2.97Å; L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-Q88 PolarHBondContact O-N 3Å; L86-I89 PolarHBondContact O-N 2.95Å; L86-N90 VanDerWaalsContact O-CB 3.24Å; L86-N90 WeakPolarHBondContact O-CB 3.29Å; L86-N90 VanDerWaalsContact O-CG 3.23Å; L86-N90 PolarHBondContact O-N 2.56Å; L86-N90 PolarHBondContact O-ND2 2.77Å; L86-L101 HydrophobicContact CD2-CB 3.58Å; L86-L101 HydrophobicContact CD2-CD1 4.24Å; L86-A103 HydrophobicContact CD1-CB 3.53Å; L86-V415 HydrophobicContact CD2-CG1 4.3Å; L86-V415 HydrophobicContact CG-CG1 4.43Å
87	D	95.9	Very high	95.4	Very high	54 Å²	54	31.8 Å²	31.8	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-59.6	-43.6	174.8	-68.5	-17.1	0	0	0	111.8	L83 Y84 S91 R360	L83-D87 VanDerWaalsContact O-CG 3.29Å; L83-D87 PolarHBondContact O-N 3.41Å; Y84-D87 WeakPolarHBondContact O-CB 3.39Å; Y84-D87 PolarHBondContact O-N 3.27Å; Y84-D87 VanDerWaalsContact O-N 3.16Å; D87-S91 WeakPolarHBondContact O-CB 3.48Å; D87-S91 PolarHBondContact O-N 3.47Å; D87-S91 PolarHBondContact O-OG 2.85Å; D87-R360 IonicContact OD1-CZ 3.05Å; D87-R360 IonicContact OD1-NH1 3.42Å; D87-R360 PolarHBondContact OD1-NH1 3.36Å; D87-R360 IonicContact OD1-NH2 3.6Å; D87-R360 IonicContact OD2-CZ 2.81Å; D87-R360 IonicContact OD2-NH1 2.75Å; D87-R360 PolarHBondContact OD2-NH1 2.8Å; D87-R360 IonicContact OD2-NH2 2.68Å; D87-R360 PolarHBondContact OD2-NH2 2.92Å
88	Q	95.9	Very high	95.2	Very high	71 Å²	71	37.1 Å²	37.1	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-49.2	178.8	-63.8	-56.2	-94.6	0	0	111.5	Y84 A85 L86 N90 S91 D92 Y416	Y84-Q88 HydrophobicContact CD2-CG 4.03Å; Y84-Q88 HydrophobicContact CE1-CG 4.15Å; Y84-Q88 HydrophobicContact CE2-CG 3.59Å; Y84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y84-Q88 PolarHBondContact O-N 3.23Å; A85-Q88 PolarHBondContact O-N 2.87Å; L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-Q88 PolarHBondContact O-N 3Å; Q88-N90 PolarHBondContact O-N 2.68Å; Q88-S91 PolarHBondContact O-N 2.81Å; Q88-S91 PolarHBondContact O-OG 3.08Å; Q88-D92 PolarHBondContact O-N 3.25Å; Q88-D92 VanDerWaalsContact O-N 3.16Å; Q88-Y416 WeakPolarHBondContact CB-OH 3.17Å
89	I	96.9	Very high	95	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-44.4	-179.4	-66.2	158.7	0	0	0	111	A85 L86 S91 D92 L95 L96 L101 V415 Y416 A419	A85-I89 WeakPolarHBondContact O-CB 3.41Å; A85-I89 VanDerWaalsContact O-CD1 3.31Å; A85-I89 WeakPolarHBondContact O-CD1 3.35Å; A85-I89 WeakPolarHBondContact O-CG1 3.46Å; A85-I89 PolarHBondContact O-N 2.72Å; L86-I89 PolarHBondContact O-N 2.95Å; I89-S91 PolarHBondContact O-N 2.76Å; I89-S91 VanDerWaalsContact O-N 3.11Å; I89-D92 PolarHBondContact O-N 3.34Å; I89-D92 VanDerWaalsContact O-N 3.16Å; I89-L95 HydrophobicContact CG1-CD2 4.12Å; I89-L95 HydrophobicContact CG2-CD2 4.08Å; I89-L95 HydrophobicContact CG2-CG 4.31Å; I89-L96 HydrophobicContact CG2-CD1 4.43Å; I89-L101 HydrophobicContact CG2-CD1 3.82Å; I89-L101 HydrophobicContact CG2-CG 4.5Å; I89-V415 HydrophobicContact CD1-CG1 3.73Å; I89-Y416 HydrophobicContact CD1-CD1 4.23Å; I89-Y416 HydrophobicContact CD1-CD2 4.06Å; I89-Y416 HydrophobicContact CD1-CE1 4.27Å; I89-Y416 HydrophobicContact CD1-CE2 4.11Å; I89-Y416 HydrophobicContact CD1-CG 4.13Å; I89-Y416 HydrophobicContact CG1-CD1 4.07Å; I89-Y416 HydrophobicContact CG1-CD2 4.39Å; I89-Y416 HydrophobicContact CG1-CE1 3.67Å; I89-Y416 HydrophobicContact CG1-CE2 4.02Å; I89-Y416 HydrophobicContact CG1-CG 4.42Å; I89-A419 HydrophobicContact CD1-CB 3.84Å; I89-A419 HydrophobicContact CG1-CB 4.42Å; I89-A419 HydrophobicContact CG2-CB 4.03Å
90	N	96.6	Very high	95	Very high	71 Å²	71	40.1 Å²	40.1	38%	0.38	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.1	176.7	-70.2	-28.8	0	0	0	113.5	L86 Q88 L101	L86-N90 VanDerWaalsContact O-CB 3.24Å; L86-N90 WeakPolarHBondContact O-CB 3.29Å; L86-N90 VanDerWaalsContact O-CG 3.23Å; L86-N90 PolarHBondContact O-N 2.56Å; L86-N90 PolarHBondContact O-ND2 2.77Å; Q88-N90 PolarHBondContact O-N 2.68Å; N90-L101 PolarHBondContact ND2-O 3.09Å; N90-L101 PolarHBondContact OD1-N 3.23Å
91	S	95.8	Very high	95	Very high	82 Å²	82	40.2 Å²	40.2	57%	0.573	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-11.8	174.8	76.3	0	0	0	0	114.4	D87 Q88 I89 P93	D87-S91 WeakPolarHBondContact O-CB 3.48Å; D87-S91 PolarHBondContact O-N 3.47Å; D87-S91 PolarHBondContact O-OG 2.85Å; Q88-S91 PolarHBondContact O-N 2.81Å; Q88-S91 PolarHBondContact O-OG 3.08Å; I89-S91 PolarHBondContact O-N 2.76Å; I89-S91 VanDerWaalsContact O-N 3.11Å; S91-P93 WeakPolarHBondContact O-CD 3.47Å
92	D	95	Very high	95	Very high	52 Å²	52	40.2 Å²	40.2	28%	0.278	23%	0.228	S	C	.	.			trans	-85.1	115.7	-178.5	-179.7	7.2	0	0	0	111.1	Q88 I89 N94 L95	Q88-D92 PolarHBondContact O-N 3.25Å; Q88-D92 VanDerWaalsContact O-N 3.16Å; I89-D92 PolarHBondContact O-N 3.34Å; I89-D92 VanDerWaalsContact O-N 3.16Å; D92-N94 PolarHBondContact O-N 2.98Å; D92-N94 WeakPolarHBondContact OD1-CB 3.46Å; D92-N94 PolarHBondContact OD1-N 3.19Å; D92-N94 PolarHBondContact OD1-ND2 3.33Å; D92-L95 HydrophobicContact CB-CB 4.37Å; D92-L95 WeakPolarHBondContact OD2-CB 3.28Å
93	P	92.6	Very high	94.9	Very high	103 Å²	103	40.2 Å²	40.2	67%	0.669	23%	0.228	S	C	*	.	S	Bend	trans	-69.7	-10.8	178.2	30.4	-36.5	0	0	0	113.9	S91	S91-P93 WeakPolarHBondContact O-CD 3.47Å
94	N	93.6	Very high	94.7	Very high	120 Å²	120	42 Å²	42	64%	0.642	24%	0.235	S	C	*	.	S	Bend	trans	-91.8	-32.5	-177	-53.7	-82	0	0	0	112.6	D92 H423	D92-N94 PolarHBondContact O-N 2.98Å; D92-N94 WeakPolarHBondContact OD1-CB 3.46Å; D92-N94 PolarHBondContact OD1-N 3.19Å; D92-N94 PolarHBondContact OD1-ND2 3.33Å; N94-H423 PolarHBondContact O-NE2 2.82Å
95	L	93.6	Very high	94.7	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	-105.4	123.1	-175.7	-174.7	61.2	0	0	0	109.7	I89 D92 Y416 A419 H423	I89-L95 HydrophobicContact CG1-CD2 4.12Å; I89-L95 HydrophobicContact CG2-CD2 4.08Å; I89-L95 HydrophobicContact CG2-CG 4.31Å; D92-L95 HydrophobicContact CB-CB 4.37Å; D92-L95 WeakPolarHBondContact OD2-CB 3.28Å; L95-Y416 HydrophobicContact CD2-CD1 3.9Å; L95-Y416 HydrophobicContact CD2-CE1 3.92Å; L95-A419 HydrophobicContact CD2-CB 4.05Å; L95-A419 HydrophobicContact CG-CB 4.43Å; L95-H423 HydrophobicContact CD1-CB 3.7Å
96	L	92.8	Very high	94.5	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	51.2	47.8	-176.8	-69.2	172	0	0	0	115.8	I89 N98 V99 L101 A419 L422 H423	I89-L96 HydrophobicContact CG2-CD1 4.43Å; L96-N98 PolarHBondContact O-N 3.31Å; L96-V99 HydrophobicContact CB-CB 4.26Å; L96-V99 HydrophobicContact CD2-CB 4.47Å; L96-V99 PolarHBondContact O-N 2.79Å; L96-L101 HydrophobicContact CD1-CD1 3.83Å; L96-L101 HydrophobicContact CD1-CD2 3.76Å; L96-L101 HydrophobicContact CD1-CG 3.85Å; L96-A419 HydrophobicContact CD1-CB 4.04Å; L96-L422 HydrophobicContact CD1-CB 4.3Å; L96-L422 HydrophobicContact CD2-CB 4Å; L96-H423 WeakPolarHBondContact CA-CE1 3.39Å; L96-H423 HydrophobicContact CD2-CB 4.02Å; L96-H423 HydrophobicContact CG-CB 4.12Å; L96-H423 PolarHBondContact N-CE1 2.81Å; L96-H423 PolarHBondContact N-ND1 3.37Å; L96-H423 VanDerWaalsContact N-ND1 3.15Å
97	P	90.8	Very high	94.4	Very high	51 Å²	51	40.8 Å²	40.8	33%	0.331	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	127	-178.8	25.1	-34.9	0	0	0	112.6	V99 H423	P97-V99 VanDerWaalsContact C-N 3.32Å; P97-H423 VanDerWaalsContact CD-CE1 3.45Å; P97-H423 WeakPolarHBondContact CD-CE1 3.15Å; P97-H423 WeakPolarHBondContact CD-NE2 3.39Å
98	N	89.8	Confident	94.2	Very high	119 Å²	119	38.3 Å²	38.3	64%	0.636	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	22	-174.2	-38	-94.9	0	0	0	114.9	L96 G435	L96-N98 PolarHBondContact O-N 3.31Å; N98-G435 VanDerWaalsContact O-CA 3.24Å; N98-G435 WeakPolarHBondContact O-CA 3.27Å
99	V	92.8	Very high	93.9	Very high	7 Å²	7	35 Å²	35	4%	0.042	20%	0.201	C	C	.	.			trans	-126.2	121.9	168.4	176.9	0	0	0	0	109	D48 V49 L96 P97 V436	D48-V99 HydrophobicContact CB-CG1 4.26Å; V49-V99 HydrophobicContact CG2-CG1 3.82Å; L96-V99 HydrophobicContact CB-CB 4.26Å; L96-V99 HydrophobicContact CD2-CB 4.47Å; L96-V99 PolarHBondContact O-N 2.79Å; P97-V99 VanDerWaalsContact C-N 3.32Å; V99-V436 HydrophobicContact CG1-CG2 3.88Å; V99-V436 HydrophobicContact CG2-CG2 3.97Å
100	T	94.8	Very high	93.4	Very high	64 Å²	64	36.7 Å²	36.7	39%	0.393	21%	0.214	S	C	.	.			trans	-91	130.8	174.7	58.4	0	0	0	0	111.4	G47 D48 V49	G47-T100 VanDerWaalsContact CA-OG1 3.3Å; G47-T100 WeakPolarHBondContact CA-OG1 3.38Å; D48-T100 PolarHBondContact N-O 2.91Å; D48-T100 PolarHBondContact N-OG1 2.76Å; D48-T100 WeakPolarHBondContact OD2-CB 3.46Å; D48-T100 PolarHBondContact OD2-N 3Å; D48-T100 PolarHBondContact OD2-OG1 2.89Å; V49-T100 PolarHBondContact N-O 3.17Å; V49-T100 VanDerWaalsContact N-O 3.09Å
101	L	96.4	Very high	93	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.7	170.9	-63.9	-172.9	0	0	0	110	V49 L51 L86 I89 N90 L96 A419 L422	V49-L101 HydrophobicContact CB-CD2 3.98Å; V49-L101 HydrophobicContact CG1-CD2 4.24Å; L51-L101 HydrophobicContact CD1-CD1 4.42Å; L86-L101 HydrophobicContact CD2-CB 3.58Å; L86-L101 HydrophobicContact CD2-CD1 4.24Å; I89-L101 HydrophobicContact CG2-CD1 3.82Å; I89-L101 HydrophobicContact CG2-CG 4.5Å; N90-L101 PolarHBondContact ND2-O 3.09Å; N90-L101 PolarHBondContact OD1-N 3.23Å; L96-L101 HydrophobicContact CD1-CD1 3.83Å; L96-L101 HydrophobicContact CD1-CD2 3.76Å; L96-L101 HydrophobicContact CD1-CG 3.85Å; L101-A419 HydrophobicContact CD1-CB 4.01Å; L101-L422 HydrophobicContact CD2-CD1 3.96Å
102	G	95.9	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	173	168.1	0	0	0	0	0	111.6	I45 V49 L51	I45-G102 CarbonylContact O-C 3.53Å; I45-G102 VanDerWaalsContact O-CA 3.24Å; I45-G102 WeakPolarHBondContact O-CA 3.48Å; V49-G102 PolarHBondContact O-N 3.19Å; L51-G102 PolarHBondContact N-O 3.49Å
103	A	95.3	Very high	92.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	146.4	-179.2	0	0	0	0	0	114.2	R44 I45 L51 M82 L86 I105	R44-A103 CarbonylContact C-O 3.58Å; I45-A103 HydrophobicContact CB-CB 4.37Å; I45-A103 PolarHBondContact N-O 3.38Å; I45-A103 PolarHBondContact O-N 2.83Å; L51-A103 CarbonylContact O-C 3.32Å; L51-A103 VanDerWaalsContact O-CA 3.24Å; L51-A103 WeakPolarHBondContact O-CA 3.41Å; M82-A103 HydrophobicContact CE-CB 4.05Å; L86-A103 HydrophobicContact CD1-CB 3.53Å; A103-I105 HydrophobicContact CB-CG1 4.4Å
104	R	93.9	Very high	92.1	Very high	39 Å²	39	32.4 Å²	32.4	15%	0.147	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	107	171.2	-171.2	173.3	179.7	-159.8	-1.4	109.2	I43 T50 L51 G52 G53 T121 F122	I43-R104 CarbonylContact O-C 3.47Å; I43-R104 WeakPolarHBondContact O-CA 3.39Å; T50-R104 HydrophobicContact CG2-CB 4.16Å; L51-R104 PolarHBondContact O-N 3.41Å; G52-R104 CarbonylContact C-O 3.6Å; G52-R104 WeakPolarHBondContact CA-O 3.42Å; G53-R104 PolarHBondContact N-O 2.76Å; R104-T121 PolarHBondContact NH1-O 3.33Å; R104-F122 HydrophobicContact CG-CE1 4.46Å; R104-F122 WeakPolarHBondContact O-CE1 3.32Å
105	I	95.1	Very high	92	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.6	-172	-51.3	179.5	0	0	0	110	S42 I43 G53 F55 L79 M82 L83 A103	S42-I105 CarbonylContact C-O 3.58Å; S42-I105 VanDerWaalsContact CA-O 3.32Å; S42-I105 WeakPolarHBondContact CA-O 3.33Å; I43-I105 HydrophobicContact CB-CB 4.2Å; I43-I105 PolarHBondContact N-O 2.82Å; I43-I105 PolarHBondContact O-N 3.16Å; G53-I105 WeakPolarHBondContact O-CA 3.21Å; F55-I105 HydrophobicContact CD2-CG2 3.5Å; F55-I105 VanDerWaalsContact CD2-CG2 3.5Å; F55-I105 HydrophobicContact CE2-CD1 4.5Å; F55-I105 HydrophobicContact CE2-CG2 3.83Å; L79-I105 HydrophobicContact CD1-CG2 4.11Å; L79-I105 HydrophobicContact CG-CD1 4.41Å; L79-I105 HydrophobicContact CG-CG2 4.23Å; M82-I105 HydrophobicContact CG-CD1 4.48Å; M82-I105 HydrophobicContact SD-CD1 4.13Å; M82-I105 HydrophobicContact SD-CG1 4.29Å; L83-I105 HydrophobicContact CD2-CD1 3.78Å; L83-I105 HydrophobicContact CG-CD1 4.15Å; A103-I105 HydrophobicContact CB-CG1 4.4Å
106	L	94.2	Very high	91.9	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150	179.5	-45.4	175.7	0	0	0	110.1	G53 L54 F55 Q118 T121 F122	G53-L106 PolarHBondContact O-N 3.05Å; L54-L106 HydrophobicContact CD2-CB 4.08Å; L54-L106 HydrophobicContact CD2-CD1 4.41Å; F55-L106 PolarHBondContact N-O 3.16Å; L106-Q118 HydrophobicContact CB-CB 4.39Å; L106-Q118 HydrophobicContact CD1-CB 4.03Å; L106-Q118 VanDerWaalsContact CD1-O 3.24Å; L106-Q118 WeakPolarHBondContact CD1-O 3.32Å; L106-T121 VanDerWaalsContact CD1-OG1 3.31Å; L106-T121 WeakPolarHBondContact CD1-OG1 3.27Å; L106-F122 HydrophobicContact CD1-CD1 4.06Å; L106-F122 HydrophobicContact CD1-CE1 3.49Å; L106-F122 VanDerWaalsContact CD1-CE1 3.49Å; L106-F122 HydrophobicContact CD1-CE2 4.04Å; L106-F122 HydrophobicContact CD1-CZ 3.48Å; L106-F122 VanDerWaalsContact CD1-CZ 3.48Å; L106-F122 HydrophobicContact CG-CE1 3.76Å; L106-F122 HydrophobicContact CG-CZ 3.79Å
107	D	94.1	Very high	91.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	146.9	168.2	-168	8.6	0	0	0	111.3	V57 H58 C109 W363	V57-D107 HydrophobicContact CB-CB 4.19Å; V57-D107 HydrophobicContact CG2-CB 4.16Å; V57-D107 PolarHBondContact N-OD1 2.04Å; H58-D107 IonicContact CE1-OD2 3.84Å; H58-D107 IonicContact CG-OD2 3.45Å; H58-D107 PolarHBondContact N-OD1 3.46Å; H58-D107 PolarHBondContact N-OD2 2.94Å; H58-D107 IonicContact ND1-OD2 2.66Å; H58-D107 PolarHBondContact ND1-OD2 3.27Å; D107-C109 PolarHBondContact OD1-N 3.11Å; D107-C109 PolarHBondContact OD2-SG 3.46Å; D107-W363 HydrophobicContact CB-CH2 4.31Å; D107-W363 HydrophobicContact CB-CZ2 4.05Å
108	T	92.8	Very high	91.6	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	17%	0.172	C	C	.	.			trans	-103.3	-11.7	173.4	58.7	0	0	0	0	112.8	L54 F55 P56 S110 R111 A115 A156 V161	L54-T108 HydrophobicContact CB-CG2 3.92Å; L54-T108 HydrophobicContact CD2-CG2 4.07Å; L54-T108 HydrophobicContact CG-CG2 4.49Å; F55-T108 VanDerWaalsContact C-OG1 3.25Å; F55-T108 PolarHBondContact O-N 3.25Å; F55-T108 PolarHBondContact O-OG1 2.93Å; P56-T108 VanDerWaalsContact CA-OG1 3.29Å; P56-T108 WeakPolarHBondContact CA-OG1 3.14Å; T108-S110 PolarHBondContact O-N 2.82Å; T108-R111 PolarHBondContact O-N 3.44Å; T108-A115 HydrophobicContact CG2-CB 3.79Å; T108-A156 HydrophobicContact CG2-CB 4.3Å; T108-V161 HydrophobicContact CG2-CG1 4.16Å
109	C	90.3	Very high	91.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	30.4	-176.6	-62.2	0	0	0	0	114.2	H58 A59 K60 C67 D107 R111 Y114	H58-C109 HydrophobicContact CB-CB 4.45Å; H58-C109 CarbonylContact O-C 3.4Å; H58-C109 VanDerWaalsContact O-C 3.26Å; H58-C109 WeakPolarHBondContact O-CA 3.25Å; A59-C109 CarbonylContact C-O 3.58Å; K60-C109 WeakPolarHBondContact CA-O 3.37Å; K60-C109 PolarHBondContact N-O 3.47Å; C67-C109 HydrophobicContact CB-CB 3.7Å; C67-C109 WeakPolarHBondContact CB-SG 3.05Å; C67-C109 WeakPolarHBondContact SG-CB 3.47Å; C67-C109 CovalentContact SG-SG 2.03Å; C67-C109 PolarHBondContact SG-SG 2.95Å; D107-C109 PolarHBondContact OD1-N 3.11Å; D107-C109 PolarHBondContact OD2-SG 3.46Å; C109-R111 PolarHBondContact O-N 3.35Å; C109-Y114 HydrophobicContact CB-CD1 3.83Å; C109-Y114 HydrophobicContact CB-CE1 4.09Å; C109-Y114 WeakPolarHBondContact SG-CE1 3.36Å
110	S	86.3	Confident	91.4	Very high	39 Å²	39	31.2 Å²	31.2	27%	0.273	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	20.4	-171.7	-49.1	0	0	0	0	114.5	H58 K71 T108	H58-S110 PolarHBondContact O-N 2.77Å; H58-S110 PolarHBondContact O-OG 3.42Å; K71-S110 PolarHBondContact NZ-OG 3.38Å; K71-S110 VanDerWaalsContact NZ-OG 3.07Å; T108-S110 PolarHBondContact O-N 2.82Å
111	R	86.7	Confident	91	Very high	63 Å²	63	29.2 Å²	29.2	24%	0.238	15%	0.149	C	C	.	.			trans	-129	116.5	-171.4	-164.8	176.6	87	177.9	2.5	112	K60 M65 T108 C109 T113 Y114 A115	K60-R111 HydrophobicContact CG-CB 4.48Å; M65-R111 PolarHBondContact O-NH1 3.49Å; T108-R111 PolarHBondContact O-N 3.44Å; C109-R111 PolarHBondContact O-N 3.35Å; R111-T113 PolarHBondContact NE-OG1 2.99Å; R111-T113 PolarHBondContact O-N 3.19Å; R111-Y114 PolarHBondContact O-N 2.92Å; R111-A115 WeakPolarHBondContact O-CB 3.32Å; R111-A115 PolarHBondContact O-N 2.63Å
112	D	87.9	Confident	90.7	Very high	50 Å²	50	29.2 Å²	29.2	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-51.5	-51.1	-178.2	49.6	11.1	0	0	0	115	Y114 A115 L116 V161 M164	D112-Y114 VanDerWaalsContact C-N 3.34Å; D112-Y114 PolarHBondContact O-N 2.78Å; D112-A115 PolarHBondContact O-N 2.98Å; D112-L116 VanDerWaalsContact O-CB 3.31Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 PolarHBondContact O-N 3.02Å; D112-V161 HydrophobicContact CB-CG2 4.43Å; D112-M164 HydrophobicContact CB-CG 4.08Å
113	T	88.1	Confident	90.3	Very high	87 Å²	87	29.3 Å²	29.3	53%	0.534	15%	0.149	S	C	.	.	H	α-helix	trans	-62.3	-36.8	179.3	44.7	0	0	0	0	113.3	R111 E117	R111-T113 PolarHBondContact NE-OG1 2.99Å; R111-T113 PolarHBondContact O-N 3.19Å; T113-E117 PolarHBondContact O-N 3.04Å
114	Y	89.7	Confident	89.6	Confident	19 Å²	19	33.7 Å²	33.7	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-76.3	-43.9	177.8	178.6	-103.8	0	0	0	111.2	P66 C109 R111 D112 L116 E117 Q118	P66-Y114 HydrophobicContact CB-CD2 3.77Å; P66-Y114 HydrophobicContact CB-CE2 3.94Å; P66-Y114 HydrophobicContact CB-CG 4.25Å; P66-Y114 HydrophobicContact CG-CE2 4.49Å; C109-Y114 HydrophobicContact CB-CD1 3.83Å; C109-Y114 HydrophobicContact CB-CE1 4.09Å; C109-Y114 WeakPolarHBondContact SG-CE1 3.36Å; R111-Y114 PolarHBondContact O-N 2.92Å; D112-Y114 VanDerWaalsContact C-N 3.34Å; D112-Y114 PolarHBondContact O-N 2.78Å; Y114-L116 VanDerWaalsContact C-N 3.27Å; Y114-L116 PolarHBondContact O-N 2.98Å; Y114-E117 WeakPolarHBondContact O-CB 3.39Å; Y114-E117 PolarHBondContact O-N 3.36Å; Y114-E117 VanDerWaalsContact O-N 3.16Å; Y114-Q118 HydrophobicContact CD1-CG 4.12Å; Y114-Q118 HydrophobicContact CE1-CG 3.7Å; Y114-Q118 HydrophobicContact CE2-CG 4.17Å; Y114-Q118 VanDerWaalsContact CE2-NE2 3.34Å; Y114-Q118 WeakPolarHBondContact O-CG 3.4Å; Y114-Q118 PolarHBondContact O-N 3.49Å
115	A	91.5	Very high	88.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-34.3	175	0	0	0	0	0	113	T108 R111 D112 S119 V161	T108-A115 HydrophobicContact CG2-CB 3.79Å; R111-A115 WeakPolarHBondContact O-CB 3.32Å; R111-A115 PolarHBondContact O-N 2.63Å; D112-A115 PolarHBondContact O-N 2.98Å; A115-S119 VanDerWaalsContact O-CB 3.24Å; A115-S119 WeakPolarHBondContact O-CB 3.31Å; A115-S119 PolarHBondContact O-N 2.82Å; A115-S119 PolarHBondContact O-OG 3.36Å; A115-V161 HydrophobicContact CB-CG1 3.34Å
116	L	90.5	Very high	87.7	Confident	51 Å²	51	36.7 Å²	36.7	27%	0.267	19%	0.193	S	C	.	.	H	α-helix	trans	-62.4	-47.9	172.3	-174.6	73.3	0	0	0	111.2	D112 Y114 S119 L120 M164 I168	D112-L116 VanDerWaalsContact O-CB 3.31Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 PolarHBondContact O-N 3.02Å; Y114-L116 VanDerWaalsContact C-N 3.27Å; Y114-L116 PolarHBondContact O-N 2.98Å; L116-S119 PolarHBondContact O-N 2.78Å; L116-L120 PolarHBondContact O-N 3.16Å; L116-M164 HydrophobicContact CD1-CB 4.19Å; L116-M164 VanDerWaalsContact CD1-O 3.31Å; L116-M164 WeakPolarHBondContact CD1-O 3.07Å; L116-I168 HydrophobicContact CD1-CD1 3.35Å; L116-I168 HydrophobicContact CD1-CG1 3.75Å; L116-I168 HydrophobicContact CG-CD1 3.96Å
117	E	88.9	Confident	86.8	Confident	114 Å²	114	40.7 Å²	40.7	53%	0.533	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-49.2	175.2	-178.5	-174.8	-167.7	0	0	111.5	T113 Y114 S119 L120	T113-E117 PolarHBondContact O-N 3.04Å; Y114-E117 WeakPolarHBondContact O-CB 3.39Å; Y114-E117 PolarHBondContact O-N 3.36Å; Y114-E117 VanDerWaalsContact O-N 3.16Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.37Å; E117-L120 WeakPolarHBondContact O-CB 3.22Å; E117-L120 PolarHBondContact O-N 2.98Å
118	Q	88.3	Confident	85.1	Confident	33 Å²	33	49.6 Å²	49.6	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-37.9	177.9	-61.8	-42.9	-55.8	0	0	112	L106 Y114 L120 T121	L106-Q118 HydrophobicContact CB-CB 4.39Å; L106-Q118 HydrophobicContact CD1-CB 4.03Å; L106-Q118 VanDerWaalsContact CD1-O 3.24Å; L106-Q118 WeakPolarHBondContact CD1-O 3.32Å; Y114-Q118 HydrophobicContact CD1-CG 4.12Å; Y114-Q118 HydrophobicContact CE1-CG 3.7Å; Y114-Q118 HydrophobicContact CE2-CG 4.17Å; Y114-Q118 VanDerWaalsContact CE2-NE2 3.34Å; Y114-Q118 WeakPolarHBondContact O-CG 3.4Å; Y114-Q118 PolarHBondContact O-N 3.49Å; Q118-L120 PolarHBondContact O-N 3.02Å; Q118-T121 WeakPolarHBondContact O-CB 3.46Å; Q118-T121 WeakPolarHBondContact O-CG2 3.24Å; Q118-T121 PolarHBondContact O-N 3.36Å; Q118-T121 PolarHBondContact O-OG1 3.38Å
119	S	90.3	Very high	83.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-20.6	-180	-62.6	0	0	0	0	113.9	A115 L116 E117 T121 F122 V165	A115-S119 VanDerWaalsContact O-CB 3.24Å; A115-S119 WeakPolarHBondContact O-CB 3.31Å; A115-S119 PolarHBondContact O-N 2.82Å; A115-S119 PolarHBondContact O-OG 3.36Å; L116-S119 PolarHBondContact O-N 2.78Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.37Å; S119-T121 PolarHBondContact O-N 3.09Å; S119-F122 PolarHBondContact O-N 3.46Å; S119-V165 WeakPolarHBondContact OG-CG2 3.18Å
120	L	88.1	Confident	81.7	Confident	86 Å²	86	64.2 Å²	64.2	45%	0.45	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-25.7	169.3	-69	168.8	0	0	0	112.1	L116 E117 Q118 F122 V123 Q124 I168	L116-L120 PolarHBondContact O-N 3.16Å; E117-L120 WeakPolarHBondContact O-CB 3.22Å; E117-L120 PolarHBondContact O-N 2.98Å; Q118-L120 PolarHBondContact O-N 3.02Å; L120-F122 VanDerWaalsContact C-N 3.29Å; L120-F122 PolarHBondContact O-N 3.23Å; L120-V123 WeakPolarHBondContact O-CG2 3.45Å; L120-V123 PolarHBondContact O-N 2.94Å; L120-Q124 PolarHBondContact O-N 2.9Å; L120-I168 HydrophobicContact CD2-CD1 3.74Å; L120-I168 HydrophobicContact CG-CD1 4.27Å
121	T	87.2	Confident	80.5	Confident	22 Å²	22	65.7 Å²	65.7	14%	0.135	33%	0.332	C	S	.	.	H	α-helix	trans	-70.9	-21.7	179.6	71.6	0	0	0	0	113.9	R104 L106 Q118 S119	R104-T121 PolarHBondContact NH1-O 3.33Å; L106-T121 VanDerWaalsContact CD1-OG1 3.31Å; L106-T121 WeakPolarHBondContact CD1-OG1 3.27Å; Q118-T121 WeakPolarHBondContact O-CB 3.46Å; Q118-T121 WeakPolarHBondContact O-CG2 3.24Å; Q118-T121 PolarHBondContact O-N 3.36Å; Q118-T121 PolarHBondContact O-OG1 3.38Å; S119-T121 PolarHBondContact O-N 3.09Å
122	F	89.3	Confident	79.4	Confident	1 Å²	1	66.1 Å²	66.1	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-72	-32.1	173.8	-62.9	-35.7	0	0	0	112.6	L54 R104 L106 S119 L120 V150 V153	L54-F122 HydrophobicContact CD1-CE2 4.14Å; L54-F122 HydrophobicContact CD2-CE2 3.78Å; L54-F122 HydrophobicContact CD2-CZ 3.94Å; L54-F122 HydrophobicContact CG-CE2 3.85Å; L54-F122 HydrophobicContact CG-CZ 4.17Å; R104-F122 HydrophobicContact CG-CE1 4.46Å; R104-F122 WeakPolarHBondContact O-CE1 3.32Å; L106-F122 HydrophobicContact CD1-CD1 4.06Å; L106-F122 HydrophobicContact CD1-CE1 3.49Å; L106-F122 VanDerWaalsContact CD1-CE1 3.49Å; L106-F122 HydrophobicContact CD1-CE2 4.04Å; L106-F122 HydrophobicContact CD1-CZ 3.48Å; L106-F122 VanDerWaalsContact CD1-CZ 3.48Å; L106-F122 HydrophobicContact CG-CE1 3.76Å; L106-F122 HydrophobicContact CG-CZ 3.79Å; S119-F122 PolarHBondContact O-N 3.46Å; L120-F122 VanDerWaalsContact C-N 3.29Å; L120-F122 PolarHBondContact O-N 3.23Å; F122-V150 HydrophobicContact CB-CB 4.32Å; F122-V150 HydrophobicContact CB-CG2 4.31Å; F122-V150 HydrophobicContact CD1-CG2 3.79Å; F122-V150 HydrophobicContact CE1-CG2 4.48Å; F122-V150 HydrophobicContact CG-CG2 4.32Å; F122-V153 HydrophobicContact CD2-CG2 3.83Å; F122-V153 HydrophobicContact CE2-CG1 3.99Å; F122-V153 HydrophobicContact CE2-CG2 3.96Å
123	V	86.9	Confident	78.1	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-90.6	-7.8	-176.6	-59.2	0	0	0	0	113.5	L120 A125 L126 I127 I168 F172 I174	L120-V123 WeakPolarHBondContact O-CG2 3.45Å; L120-V123 PolarHBondContact O-N 2.94Å; V123-A125 PolarHBondContact O-N 2.79Å; V123-A125 VanDerWaalsContact O-N 3.12Å; V123-L126 PolarHBondContact O-N 3.26Å; V123-I127 HydrophobicContact CG2-CD1 4.21Å; V123-I127 PolarHBondContact O-N 3.19Å; V123-I168 HydrophobicContact CG1-CG2 4.35Å; V123-F172 HydrophobicContact CB-CD1 4.01Å; V123-F172 HydrophobicContact CB-CD2 3.83Å; V123-F172 HydrophobicContact CB-CE1 4.09Å; V123-F172 HydrophobicContact CB-CE2 3.91Å; V123-F172 HydrophobicContact CB-CG 3.87Å; V123-F172 HydrophobicContact CB-CZ 4.04Å; V123-F172 HydrophobicContact CG1-CB 3.93Å; V123-F172 HydrophobicContact CG1-CD1 4.23Å; V123-F172 HydrophobicContact CG1-CD2 3.45Å; V123-F172 VanDerWaalsContact CG1-CD2 3.45Å; V123-F172 HydrophobicContact CG1-CE2 3.97Å; V123-F172 HydrophobicContact CG1-CG 3.59Å; V123-F172 HydrophobicContact CG2-CD2 4.24Å; V123-F172 HydrophobicContact CG2-CE2 3.88Å; V123-F172 HydrophobicContact CG2-CZ 4.04Å; V123-I174 HydrophobicContact CG1-CD1 3.91Å
124	Q	81.6	Confident	77.1	Confident	93 Å²	93	70.2 Å²	70.2	44%	0.435	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.7	177.8	-78.5	171.8	-6.4	0	0	114.1	L120 L126 P147	L120-Q124 PolarHBondContact O-N 2.9Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-P147 HydrophobicContact CB-CB 4.18Å; Q124-P147 HydrophobicContact CB-CG 4.48Å
125	A	73	Confident	76.3	Confident	32 Å²	32	79 Å²	79	26%	0.264	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.5	176.8	0	0	0	0	0	114	V123 P147 E148 K149	V123-A125 PolarHBondContact O-N 2.79Å; V123-A125 VanDerWaalsContact O-N 3.12Å; A125-P147 HydrophobicContact CB-CB 4.02Å; A125-P147 VanDerWaalsContact CB-O 3.31Å; A125-P147 WeakPolarHBondContact CB-O 3.3Å; A125-E148 VanDerWaalsContact CB-O 3.31Å; A125-E148 WeakPolarHBondContact CB-O 3.45Å; A125-K149 HydrophobicContact CB-CB 4.26Å
126	L	75.3	Confident	75.4	Confident	69 Å²	69	81.7 Å²	81.7	36%	0.361	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-21.6	-177.7	-58.1	175.7	0	0	0	111.9	V123 Q124 Q128 K149 F172 I174	V123-L126 PolarHBondContact O-N 3.26Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; L126-Q128 PolarHBondContact O-N 3.31Å; L126-Q128 VanDerWaalsContact O-N 3.1Å; L126-K149 HydrophobicContact CD2-CG 4.33Å; L126-F172 HydrophobicContact CB-CD1 3.98Å; L126-F172 HydrophobicContact CD1-CB 3.88Å; L126-F172 HydrophobicContact CD1-CD1 4.16Å; L126-F172 HydrophobicContact CD1-CG 4.42Å; L126-I174 HydrophobicContact CD1-CD1 3.93Å; L126-I174 HydrophobicContact CD1-CG1 4.2Å
127	I	75.2	Confident	74.7	Confident	88 Å²	88	86.9 Å²	86.9	45%	0.451	45%	0.451	S	S	.	.	S	Bend	trans	-78.4	90.9	172.8	-58.8	168.4	0	0	0	108.3	V123 K129 F172	V123-I127 HydrophobicContact CG2-CD1 4.21Å; V123-I127 PolarHBondContact O-N 3.19Å; I127-K129 PolarHBondContact O-N 2.76Å; I127-K129 VanDerWaalsContact O-N 3.13Å; I127-F172 HydrophobicContact CD1-CE1 4.4Å; I127-F172 HydrophobicContact CD1-CZ 4.16Å; I127-F172 HydrophobicContact CG1-CE1 3.79Å; I127-F172 HydrophobicContact CG1-CZ 4.02Å
128	Q	58.6	Low	74.1	Confident	190 Å²	190	86.2 Å²	86.2	89%	0.888	45%	0.451	S	S	*	.			trans	-57.6	117.4	172.2	-69.5	-176.2	-9	0	0	109.9	L126	L126-Q128 PolarHBondContact O-N 3.31Å; L126-Q128 VanDerWaalsContact O-N 3.1Å
129	K	57.7	Low	73.3	Confident	175 Å²	175	87.4 Å²	87.4	76%	0.761	47%	0.473	S	S	*	.			trans	-87.6	130.9	161.5	-69.5	-175.9	177.1	-179.2	0	107.8	I127 T131	I127-K129 PolarHBondContact O-N 2.76Å; I127-K129 VanDerWaalsContact O-N 3.13Å; K129-T131 HydrophobicContact CB-CG2 4.4Å; K129-T131 PolarHBondContact O-N 3.33Å
130	D	55.5	Low	72.6	Confident	135 Å²	135	93.1 Å²	93.1	72%	0.722	50%	0.499	S	S	*	.			trans	-71	113	165.4	-161.9	-30.1	0	0	0	108.1	S132	D130-S132 VanDerWaalsContact OD1-CB 3.28Å; D130-S132 WeakPolarHBondContact OD1-CB 3.37Å; D130-S132 PolarHBondContact OD1-N 3.34Å; D130-S132 VanDerWaalsContact OD1-N 3.15Å; D130-S132 PolarHBondContact OD1-OG 3.33Å
131	T	60.7	Low	71.6	Confident	71 Å²	71	94.4 Å²	94.4	44%	0.436	51%	0.513	S	S	.	.			trans	-98.8	5.7	-175.2	53.9	0	0	0	0	113.1	K129 D133 V134 F144	K129-T131 HydrophobicContact CB-CG2 4.4Å; K129-T131 PolarHBondContact O-N 3.33Å; T131-D133 VanDerWaalsContact C-N 3.31Å; T131-D133 PolarHBondContact O-N 3.02Å; T131-V134 PolarHBondContact O-N 3.41Å; T131-F144 HydrophobicContact CG2-CD2 3.8Å; T131-F144 HydrophobicContact CG2-CE2 3.45Å; T131-F144 VanDerWaalsContact CG2-CE2 3.45Å; T131-F144 HydrophobicContact CG2-CZ 4.17Å
132	S	62.8	Low	70.7	Confident	71 Å²	71	94.8 Å²	94.8	50%	0.497	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-36	-178	52.3	0	0	0	0	114	D130	D130-S132 VanDerWaalsContact OD1-CB 3.28Å; D130-S132 WeakPolarHBondContact OD1-CB 3.37Å; D130-S132 PolarHBondContact OD1-N 3.34Å; D130-S132 VanDerWaalsContact OD1-N 3.15Å; D130-S132 PolarHBondContact OD1-OG 3.33Å
133	D	61.5	Low	69.6	Low	151 Å²	151	101.7 Å²	101.7	81%	0.807	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-14.9	-175.3	-72.4	-18.9	0	0	0	114.4	T131	T131-D133 VanDerWaalsContact C-N 3.31Å; T131-D133 PolarHBondContact O-N 3.02Å
134	V	67.4	Low	68.6	Low	73 Å²	73	106.7 Å²	106.7	44%	0.442	58%	0.579	S	S	.	*			trans	-88	119.4	-177.7	-172.2	0	0	0	0	110.2	T131 P142 F144	T131-V134 PolarHBondContact O-N 3.41Å; V134-P142 HydrophobicContact CB-CG 4.16Å; V134-P142 HydrophobicContact CG1-CB 4.3Å; V134-P142 HydrophobicContact CG1-CG 4Å; V134-P142 WeakPolarHBondContact O-CD 3.25Å; V134-P142 WeakPolarHBondContact O-CG 3.44Å; V134-F144 HydrophobicContact CB-CZ 4.09Å; V134-F144 HydrophobicContact CG1-CZ 3.97Å; V134-F144 HydrophobicContact CG2-CZ 4.32Å
135	R	71.6	Confident	67.7	Low	204 Å²	204	108 Å²	108	77%	0.77	59%	0.594	S	S	*	*			trans	-127.1	142.7	173.7	-58.7	-174.1	-174.9	-165.2	0.8	110.2
136	C	73.6	Confident	67.3	Low	55 Å²	55	115.4 Å²	115.4	37%	0.372	62%	0.62	S	S	.	*			trans	-70.8	157.6	172.3	-70.6	0	0	0	0	110.7	N138 G139 E140	C136-N138 WeakPolarHBondContact CB-OD1 3.38Å; C136-N138 PolarHBondContact O-N 3.03Å; C136-N138 VanDerWaalsContact O-N 3.12Å; C136-G139 PolarHBondContact O-N 2.93Å; C136-E140 PolarHBondContact N-O 2.82Å; C136-E140 VanDerWaalsContact N-O 3.12Å
137	T	76.4	Confident	67	Low	161 Å²	161	115.3 Å²	115.3	99%	0.988	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-15.5	-176.6	45.2	0	0	0	0	114.2
138	N	74.7	Confident	67	Low	99 Å²	99	112.4 Å²	112.4	53%	0.529	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	-0	171.7	63	-10.1	0	0	0	113.8	C136 E140	C136-N138 WeakPolarHBondContact CB-OD1 3.38Å; C136-N138 PolarHBondContact O-N 3.03Å; C136-N138 VanDerWaalsContact O-N 3.12Å; N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact ND2-OE2 3.18Å; N138-E140 WeakPolarHBondContact OD1-CB 3.38Å; N138-E140 PolarHBondContact OD1-N 2.73Å
139	G	73.1	Confident	68.3	Low	59 Å²	59	108.2 Å²	108.2	61%	0.608	59%	0.586	S	S	*	*	S	Bend	trans	84.4	-1	-178	0	0	0	0	0	115.2	C136	C136-G139 PolarHBondContact O-N 2.93Å
140	E	73.7	Confident	69.9	Low	120 Å²	120	100.1 Å²	100.1	56%	0.561	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-74.8	154.5	177.4	-68.5	-176.6	150.2	0	0	112.3	C136 N138	C136-E140 PolarHBondContact N-O 2.82Å; C136-E140 VanDerWaalsContact N-O 3.12Å; N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact ND2-OE2 3.18Å; N138-E140 WeakPolarHBondContact OD1-CB 3.38Å; N138-E140 PolarHBondContact OD1-N 2.73Å
141	P	68.3	Low	71.8	Confident	112 Å²	112	95.4 Å²	95.4	73%	0.727	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-65.9	133.8	170.4	28.4	-34.4	0	0	0	110.3	V143	P141-V143 PolarHBondContact O-N 2.76Å
142	P	68.6	Low	73.4	Confident	30 Å²	30	92 Å²	92	20%	0.195	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-64.2	127.5	-179.9	26.8	-36.8	0	0	0	112.1	V134 F144	V134-P142 HydrophobicContact CB-CG 4.16Å; V134-P142 HydrophobicContact CG1-CB 4.3Å; V134-P142 HydrophobicContact CG1-CG 4Å; V134-P142 WeakPolarHBondContact O-CD 3.25Å; V134-P142 WeakPolarHBondContact O-CG 3.44Å; P142-F144 VanDerWaalsContact C-N 3.35Å; P142-F144 HydrophobicContact CB-CD2 4.2Å; P142-F144 HydrophobicContact CB-CE1 4.44Å; P142-F144 HydrophobicContact CB-CE2 3.78Å; P142-F144 HydrophobicContact CB-CZ 3.91Å; P142-F144 HydrophobicContact CG-CD2 3.96Å; P142-F144 HydrophobicContact CG-CE2 3.31Å; P142-F144 HydrophobicContact CG-CZ 3.76Å; P142-F144 PolarHBondContact O-N 2.83Å
143	V	66.6	Low	75.1	Confident	146 Å²	146	88.6 Å²	88.6	89%	0.885	48%	0.483	S	S	*	.			trans	-76.3	86.6	173	-176.1	0	0	0	0	109.4	P141	P141-V143 PolarHBondContact O-N 2.76Å
144	F	64.8	Low	76.8	Confident	107 Å²	107	81.4 Å²	81.4	47%	0.469	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-78.4	123.6	170.1	-65.9	-65.2	0	0	0	110.8	T131 V134 P142 K146	T131-F144 HydrophobicContact CG2-CD2 3.8Å; T131-F144 HydrophobicContact CG2-CE2 3.45Å; T131-F144 VanDerWaalsContact CG2-CE2 3.45Å; T131-F144 HydrophobicContact CG2-CZ 4.17Å; V134-F144 HydrophobicContact CB-CZ 4.09Å; V134-F144 HydrophobicContact CG1-CZ 3.97Å; V134-F144 HydrophobicContact CG2-CZ 4.32Å; P142-F144 VanDerWaalsContact C-N 3.35Å; P142-F144 HydrophobicContact CB-CD2 4.2Å; P142-F144 HydrophobicContact CB-CE1 4.44Å; P142-F144 HydrophobicContact CB-CE2 3.78Å; P142-F144 HydrophobicContact CB-CZ 3.91Å; P142-F144 HydrophobicContact CG-CD2 3.96Å; P142-F144 HydrophobicContact CG-CE2 3.31Å; P142-F144 HydrophobicContact CG-CZ 3.76Å; P142-F144 PolarHBondContact O-N 2.83Å; F144-K146 PolarHBondContact O-N 2.79Å
145	V	63.3	Low	78.1	Confident	121 Å²	121	78 Å²	78	73%	0.733	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-63.4	116.4	161.7	-178.5	0	0	0	0	107.4	P147	V145-P147 WeakPolarHBondContact O-CD 3.3Å
146	K	63.5	Low	79.1	Confident	186 Å²	186	68.2 Å²	68.2	81%	0.809	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-63.5	126	175.4	-74.2	-175	176	-179.2	0	108.9	F144	F144-K146 PolarHBondContact O-N 2.79Å
147	P	69.1	Low	79.9	Confident	67 Å²	67	66.5 Å²	66.5	44%	0.435	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.3	145.6	175.2	-14.8	28.4	0	0	0	110.6	Q124 A125 V145	Q124-P147 HydrophobicContact CB-CB 4.18Å; Q124-P147 HydrophobicContact CB-CG 4.48Å; A125-P147 HydrophobicContact CB-CB 4.02Å; A125-P147 VanDerWaalsContact CB-O 3.31Å; A125-P147 WeakPolarHBondContact CB-O 3.3Å; V145-P147 WeakPolarHBondContact O-CD 3.3Å
148	E	75.8	Confident	80.5	Confident	27 Å²	27	60.4 Å²	60.4	13%	0.126	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-71.1	129.7	-177.7	-64.7	-179.5	141.2	0	0	112.4	R44 A125 V150	R44-E148 IonicContact CZ-OE1 2.72Å; R44-E148 IonicContact NE-OE1 3.22Å; R44-E148 PolarHBondContact NE-OE1 3.35Å; R44-E148 IonicContact NE-OE2 3.17Å; R44-E148 PolarHBondContact NE-OE2 2.72Å; R44-E148 IonicContact NH2-OE1 3.62Å; R44-E148 PolarHBondContact NH2-OE1 3.19Å; A125-E148 VanDerWaalsContact CB-O 3.31Å; A125-E148 WeakPolarHBondContact CB-O 3.45Å; E148-V150 PolarHBondContact O-N 3.2Å; E148-V150 VanDerWaalsContact O-N 3.16Å
149	K	86.2	Confident	81.3	Confident	102 Å²	102	56.1 Å²	56.1	44%	0.443	32%	0.322	S	S	.	.			trans	-80	93.1	177.6	-178.2	-172.3	172.7	-170.5	0	109.9	A125 L126 V151 E441	A125-K149 HydrophobicContact CB-CB 4.26Å; L126-K149 HydrophobicContact CD2-CG 4.33Å; K149-V151 PolarHBondContact O-N 2.67Å; K149-E441 PolarHBondContact NZ-O 3.3Å
150	V	91.8	Very high	82.1	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.5	170.7	171.6	0	0	0	0	110	T50 F122 E148 G152 V153	T50-V150 HydrophobicContact CG2-CG2 4.5Å; T50-V150 WeakPolarHBondContact O-CA 3.07Å; F122-V150 HydrophobicContact CB-CB 4.32Å; F122-V150 HydrophobicContact CB-CG2 4.31Å; F122-V150 HydrophobicContact CD1-CG2 3.79Å; F122-V150 HydrophobicContact CE1-CG2 4.48Å; F122-V150 HydrophobicContact CG-CG2 4.32Å; E148-V150 PolarHBondContact O-N 3.2Å; E148-V150 VanDerWaalsContact O-N 3.16Å; V150-G152 WeakPolarHBondContact CG1-O 3.32Å; V150-V153 HydrophobicContact CG1-CG2 3.96Å
151	V	93.5	Very high	82.9	Confident	36 Å²	36	49.7 Å²	49.7	22%	0.218	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-19.6	-178.4	-57.5	0	0	0	0	114.1	V49 T50 L51 K149 P175	V49-V151 HydrophobicContact CG1-CB 4.37Å; V49-V151 HydrophobicContact CG1-CG1 4.05Å; V49-V151 HydrophobicContact CG1-CG2 3.42Å; V49-V151 VanDerWaalsContact CG1-CG2 3.42Å; T50-V151 PolarHBondContact O-N 3.45Å; T50-V151 VanDerWaalsContact O-N 3.09Å; L51-V151 HydrophobicContact CD2-CG2 3.76Å; K149-V151 PolarHBondContact O-N 2.67Å; V151-P175 WeakPolarHBondContact O-CD 3.38Å
152	G	95.7	Very high	84.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	156.3	-178.1	0	0	0	0	0	110.7	G52 V150 P175	G52-G152 PolarHBondContact N-O 2.75Å; V150-G152 WeakPolarHBondContact CG1-O 3.32Å; G152-P175 CarbonylContact C-O 3.59Å; G152-P175 VanDerWaalsContact CA-O 3.27Å; G152-P175 WeakPolarHBondContact CA-O 3.42Å
153	V	97.4	Very high	85.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.4	-174.1	178.6	0	0	0	0	111.4	G52 L54 F122 V150 L169 I174 P175 Q176 I177	G52-V153 CarbonylContact O-C 3.53Å; G52-V153 WeakPolarHBondContact O-CA 3.37Å; L54-V153 HydrophobicContact CD1-CG1 3.83Å; L54-V153 HydrophobicContact CG-CG1 4.02Å; F122-V153 HydrophobicContact CD2-CG2 3.83Å; F122-V153 HydrophobicContact CE2-CG1 3.99Å; F122-V153 HydrophobicContact CE2-CG2 3.96Å; V150-V153 HydrophobicContact CG1-CG2 3.96Å; V153-L169 HydrophobicContact CB-CD1 3.81Å; V153-L169 HydrophobicContact CG1-CD1 4.25Å; V153-L169 HydrophobicContact CG2-CD1 3.68Å; V153-L169 HydrophobicContact CG2-CD2 4.15Å; V153-I174 HydrophobicContact CG2-CG2 4.04Å; V153-P175 PolarHBondContact N-O 2.73Å; V153-Q176 CarbonylContact O-C 3.52Å; V153-Q176 WeakPolarHBondContact O-CA 3.42Å; V153-I177 PolarHBondContact O-N 3.22Å
154	I	98.1	Very high	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.7	173.5	-54.7	-57.8	0	0	0	109.1	G52 L54 M82 I177 Y179 A414 V415 M418	G52-I154 PolarHBondContact O-N 3.19Å; L54-I154 PolarHBondContact N-O 2.86Å; M82-I154 HydrophobicContact CE-CB 4.47Å; M82-I154 HydrophobicContact CE-CG1 4.31Å; M82-I154 HydrophobicContact SD-CB 4.34Å; I154-I177 WeakPolarHBondContact CA-O 3.48Å; I154-I177 HydrophobicContact CD1-CB 4.13Å; I154-Y179 HydrophobicContact CG2-CD1 3.97Å; I154-Y179 HydrophobicContact CG2-CE1 4.44Å; I154-A414 HydrophobicContact CD1-CB 4.45Å; I154-A414 HydrophobicContact CG2-CB 4.18Å; I154-V415 HydrophobicContact CG1-CG2 4.23Å; I154-V415 HydrophobicContact CG2-CG2 4.32Å; I154-M418 HydrophobicContact CD1-CB 4.25Å; I154-M418 HydrophobicContact CD1-CE 4.21Å
155	G	94.6	Very high	88	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.			trans	109.3	-157.9	-173.6	0	0	0	0	0	113.2	Q176 I177	G155-Q176 VanDerWaalsContact O-CG 3.24Å; G155-Q176 WeakPolarHBondContact O-CG 3.47Å; G155-Q176 PolarHBondContact O-NE2 3.33Å; G155-I177 PolarHBondContact N-O 3.09Å
156	A	93.2	Very high	89.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.			cis	-72.3	177.6	-11.8	0	0	0	0	0	111.2	L54 T108 V161 S162 S178 S181	L54-A156 HydrophobicContact CB-CB 4.01Å; L54-A156 HydrophobicContact CD1-CB 4.27Å; T108-A156 HydrophobicContact CG2-CB 4.3Å; A156-V161 HydrophobicContact CB-CB 4.05Å; A156-V161 HydrophobicContact CB-CG1 3.56Å; A156-S162 PolarHBondContact N-OG 3.49Å; A156-S162 PolarHBondContact O-OG 3.02Å; A156-S178 PolarHBondContact O-OG 3.31Å; A156-S181 PolarHBondContact O-OG 2.73Å; A156-S181 VanDerWaalsContact O-OG 3.11Å
157	S	90	Very high	90.9	Very high	19 Å²	19	23.2 Å²	23.2	13%	0.133	14%	0.136	C	C	.	.	S	Bend	trans	-75.2	-52.6	176.9	-173.3	0	0	0	0	112.7	R78 Y179 A180 S181	R78-S157 PolarHBondContact NH1-OG 2.97Å; S157-Y179 PolarHBondContact N-OH 2.75Å; S157-A180 CarbonylContact O-C 3.54Å; S157-A180 VanDerWaalsContact O-C 3.29Å; S157-S181 PolarHBondContact O-N 2.7Å; S157-S181 PolarHBondContact O-OG 3.09Å
158	G	87.9	Confident	91.9	Very high	32 Å²	32	21.2 Å²	21.2	33%	0.33	12%	0.121	S	C	.	.	S	Bend	trans	-84.1	136.7	-172.2	0	0	0	0	0	113.1	S160 V161 S162 S181	G158-S160 PolarHBondContact O-N 2.68Å; G158-V161 WeakPolarHBondContact O-CA 3.26Å; G158-V161 VanDerWaalsContact O-CB 3.32Å; G158-V161 WeakPolarHBondContact O-CB 3.45Å; G158-V161 PolarHBondContact O-N 2.79Å; G158-S162 PolarHBondContact O-N 3.28Å; G158-S181 VanDerWaalsContact C-OG 3.3Å; G158-S181 PolarHBondContact O-OG 2.89Å
159	S	91.7	Very high	92.8	Very high	9 Å²	9	20 Å²	20	6%	0.063	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-42.1	-174	-60.6	0	0	0	0	114.5	V161 S162 I163 T182 A183	S159-V161 VanDerWaalsContact C-N 3.33Å; S159-V161 PolarHBondContact O-N 2.9Å; S159-S162 PolarHBondContact O-N 3.09Å; S159-I163 WeakPolarHBondContact O-CB 3.11Å; S159-I163 VanDerWaalsContact O-CG1 3.3Å; S159-I163 WeakPolarHBondContact O-CG1 3.46Å; S159-I163 PolarHBondContact O-N 3.09Å; S159-T182 PolarHBondContact OG-N 3.26Å; S159-A183 VanDerWaalsContact CB-CB 3.5Å; S159-A183 PolarHBondContact OG-N 2.98Å
160	S	89.4	Confident	93.1	Very high	40 Å²	40	18.8 Å²	18.8	28%	0.28	11%	0.108	S	C	.	.	H	α-helix	trans	-63.3	-38.3	174.7	50	0	0	0	0	112.5	G158 I163 M164	G158-S160 PolarHBondContact O-N 2.68Å; S160-I163 PolarHBondContact O-N 3.37Å; S160-M164 PolarHBondContact O-N 2.97Å; S160-M164 VanDerWaalsContact O-N 3.08Å
161	V	91.4	Very high	93.1	Very high	5 Å²	5	25 Å²	25	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-49.7	175.2	-175	0	0	0	0	110.4	T108 D112 A115 A156 G158 S159 I163 M164 V165	T108-V161 HydrophobicContact CG2-CG1 4.16Å; D112-V161 HydrophobicContact CB-CG2 4.43Å; A115-V161 HydrophobicContact CB-CG1 3.34Å; A156-V161 HydrophobicContact CB-CB 4.05Å; A156-V161 HydrophobicContact CB-CG1 3.56Å; G158-V161 WeakPolarHBondContact O-CA 3.26Å; G158-V161 VanDerWaalsContact O-CB 3.32Å; G158-V161 WeakPolarHBondContact O-CB 3.45Å; G158-V161 PolarHBondContact O-N 2.79Å; S159-V161 VanDerWaalsContact C-N 3.33Å; S159-V161 PolarHBondContact O-N 2.9Å; V161-I163 VanDerWaalsContact C-N 3.32Å; V161-I163 PolarHBondContact O-N 3.2Å; V161-M164 PolarHBondContact O-N 3.34Å; V161-V165 HydrophobicContact CG1-CG2 4.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.08Å; V161-V165 PolarHBondContact O-N 3.05Å
162	S	94.9	Very high	93	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-37.3	177.7	-70.4	0	0	0	0	112.6	A156 G158 S159 V165 A166 S181	A156-S162 PolarHBondContact N-OG 3.49Å; A156-S162 PolarHBondContact O-OG 3.02Å; G158-S162 PolarHBondContact O-N 3.28Å; S159-S162 PolarHBondContact O-N 3.09Å; S162-V165 PolarHBondContact O-N 3.29Å; S162-A166 WeakPolarHBondContact O-CB 3.45Å; S162-A166 PolarHBondContact O-N 2.66Å; S162-S181 WeakPolarHBondContact CB-OG 3.41Å; S162-S181 PolarHBondContact OG-OG 2.8Å
163	I	93.8	Very high	92.9	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.062	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-43.8	173.3	-78.6	165.5	0	0	0	111.7	S159 S160 V161 N167 L186	S159-I163 WeakPolarHBondContact O-CB 3.11Å; S159-I163 VanDerWaalsContact O-CG1 3.3Å; S159-I163 WeakPolarHBondContact O-CG1 3.46Å; S159-I163 PolarHBondContact O-N 3.09Å; S160-I163 PolarHBondContact O-N 3.37Å; V161-I163 VanDerWaalsContact C-N 3.32Å; V161-I163 PolarHBondContact O-N 3.2Å; I163-N167 PolarHBondContact O-ND2 3.41Å; I163-L186 HydrophobicContact CD1-CG 4.47Å; I163-L186 HydrophobicContact CG1-CD1 4.26Å; I163-L186 HydrophobicContact CG1-CD2 3.68Å; I163-L186 HydrophobicContact CG1-CG 3.85Å
164	M	92.8	Very high	92.8	Very high	67 Å²	67	31.2 Å²	31.2	33%	0.33	17%	0.166	S	C	.	.	H	α-helix	trans	-69.1	-44.4	177.3	-77.1	-60.8	104.7	0	0	112.4	D112 L116 S160 V161	D112-M164 HydrophobicContact CB-CG 4.08Å; L116-M164 HydrophobicContact CD1-CB 4.19Å; L116-M164 VanDerWaalsContact CD1-O 3.31Å; L116-M164 WeakPolarHBondContact CD1-O 3.07Å; S160-M164 PolarHBondContact O-N 2.97Å; S160-M164 VanDerWaalsContact O-N 3.08Å; V161-M164 PolarHBondContact O-N 3.34Å
165	V	93.9	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-44.5	-179	171.8	0	0	0	0	112.1	L54 S119 V161 S162 N167 I168 L169	L54-V165 HydrophobicContact CD1-CB 4.43Å; L54-V165 HydrophobicContact CD1-CG1 3.74Å; L54-V165 HydrophobicContact CD1-CG2 4.07Å; S119-V165 WeakPolarHBondContact OG-CG2 3.18Å; V161-V165 HydrophobicContact CG1-CG2 4.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.08Å; V161-V165 PolarHBondContact O-N 3.05Å; S162-V165 PolarHBondContact O-N 3.29Å; V165-N167 PolarHBondContact O-N 3.03Å; V165-I168 PolarHBondContact O-N 2.92Å; V165-L169 HydrophobicContact CG1-CD1 3.59Å; V165-L169 HydrophobicContact CG1-CG 3.89Å; V165-L169 PolarHBondContact O-N 3.02Å
166	A	94.7	Very high	92.9	Very high	6 Å²	6	31.3 Å²	31.3	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-33.4	-179.6	0	0	0	0	0	112.4	S162 I168 L169 R170 Y192 F195	S162-A166 WeakPolarHBondContact O-CB 3.45Å; S162-A166 PolarHBondContact O-N 2.66Å; A166-I168 VanDerWaalsContact C-N 3.26Å; A166-I168 PolarHBondContact O-N 2.89Å; A166-L169 PolarHBondContact O-N 2.75Å; A166-R170 WeakPolarHBondContact O-CB 3.42Å; A166-R170 VanDerWaalsContact O-CG 3.32Å; A166-R170 WeakPolarHBondContact O-CG 3.28Å; A166-R170 PolarHBondContact O-N 3.45Å; A166-Y192 HydrophobicContact CB-CD1 3.82Å; A166-Y192 HydrophobicContact CB-CE1 4.26Å; A166-F195 HydrophobicContact CB-CD2 4.49Å
167	N	92.1	Very high	93.1	Very high	60 Å²	60	31.4 Å²	31.4	32%	0.321	17%	0.167	S	C	.	.	H	α-helix	trans	-62.5	-28.6	175.1	-77.9	-24.4	0	0	0	113.3	I163 V165	I163-N167 PolarHBondContact O-ND2 3.41Å; V165-N167 PolarHBondContact O-N 3.03Å
168	I	91.9	Very high	93.5	Very high	26 Å²	26	30.5 Å²	30.5	13%	0.133	16%	0.161	C	C	.	.	H	α-helix	trans	-84.3	-50.7	171.1	-67.2	-170.4	0	0	0	110.6	L116 L120 V123 V165 A166 R170 L171 F172	L116-I168 HydrophobicContact CD1-CD1 3.35Å; L116-I168 HydrophobicContact CD1-CG1 3.75Å; L116-I168 HydrophobicContact CG-CD1 3.96Å; L120-I168 HydrophobicContact CD2-CD1 3.74Å; L120-I168 HydrophobicContact CG-CD1 4.27Å; V123-I168 HydrophobicContact CG1-CG2 4.35Å; V165-I168 PolarHBondContact O-N 2.92Å; A166-I168 VanDerWaalsContact C-N 3.26Å; A166-I168 PolarHBondContact O-N 2.89Å; I168-R170 VanDerWaalsContact C-N 3.26Å; I168-R170 PolarHBondContact O-N 3.16Å; I168-L171 WeakPolarHBondContact O-CB 3.24Å; I168-L171 PolarHBondContact O-N 3.27Å; I168-F172 HydrophobicContact CG2-CD2 4.31Å; I168-F172 HydrophobicContact CG2-CE2 4.33Å
169	L	93.5	Very high	93.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-59.4	-35.7	-172	-65.8	-177.1	0	0	0	112.8	V153 V165 A166 L171 F172 Q173 I174 Q176	V153-L169 HydrophobicContact CB-CD1 3.81Å; V153-L169 HydrophobicContact CG1-CD1 4.25Å; V153-L169 HydrophobicContact CG2-CD1 3.68Å; V153-L169 HydrophobicContact CG2-CD2 4.15Å; V165-L169 HydrophobicContact CG1-CD1 3.59Å; V165-L169 HydrophobicContact CG1-CG 3.89Å; V165-L169 PolarHBondContact O-N 3.02Å; A166-L169 PolarHBondContact O-N 2.75Å; L169-L171 VanDerWaalsContact C-N 3.3Å; L169-L171 PolarHBondContact O-N 2.85Å; L169-F172 CarbonylContact O-C 3.56Å; L169-F172 PolarHBondContact O-N 2.9Å; L169-Q173 PolarHBondContact O-N 2.91Å; L169-I174 HydrophobicContact CB-CB 4.21Å; L169-I174 HydrophobicContact CD2-CB 4.16Å; L169-I174 HydrophobicContact CD2-CD1 4.14Å; L169-I174 HydrophobicContact CD2-CG2 4.26Å; L169-I174 PolarHBondContact O-N 3.41Å; L169-Q176 HydrophobicContact CD1-CB 4.02Å; L169-Q176 HydrophobicContact CD1-CG 4.22Å
170	R	93.3	Very high	93.8	Very high	77 Å²	77	28.9 Å²	28.9	29%	0.291	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-61.1	-33	175.5	72.7	-176.6	-61.2	-142.7	2.6	114	A166 I168 F172 Q173 R190 R191 D193 F194	A166-R170 WeakPolarHBondContact O-CB 3.42Å; A166-R170 VanDerWaalsContact O-CG 3.32Å; A166-R170 WeakPolarHBondContact O-CG 3.28Å; A166-R170 PolarHBondContact O-N 3.45Å; I168-R170 VanDerWaalsContact C-N 3.26Å; I168-R170 PolarHBondContact O-N 3.16Å; R170-F172 VanDerWaalsContact C-N 3.26Å; R170-F172 PolarHBondContact O-N 2.85Å; R170-Q173 PolarHBondContact O-N 2.82Å; R170-Q173 VanDerWaalsContact O-N 3.12Å; R170-R190 PolarHBondContact NH2-O 2.94Å; R170-R191 WeakPolarHBondContact CD-O 3.3Å; R170-R191 PolarHBondContact NE-O 2.82Å; R170-R191 PolarHBondContact NH1-O 3.31Å; R170-D193 IonicContact CZ-OD1 2.71Å; R170-D193 IonicContact NE-OD1 3.62Å; R170-D193 PolarHBondContact NE-OD1 2.78Å; R170-D193 IonicContact NH2-OD1 3.15Å; R170-D193 PolarHBondContact NH2-OD1 2.86Å; R170-F194 HydrophobicContact CB-CB 4.27Å; R170-F194 HydrophobicContact CB-CD2 3.93Å; R170-F194 HydrophobicContact CB-CG 4.45Å
171	L	91.9	Very high	94	Very high	134 Å²	134	27 Å²	27	70%	0.702	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-66.6	-32.6	179.3	-59.6	174.7	0	0	0	111.5	I168 L169	I168-L171 WeakPolarHBondContact O-CB 3.24Å; I168-L171 PolarHBondContact O-N 3.27Å; L169-L171 VanDerWaalsContact C-N 3.3Å; L169-L171 PolarHBondContact O-N 2.85Å
172	F	91.6	Very high	94.1	Very high	70 Å²	70	27 Å²	27	31%	0.307	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-96.7	8.1	176.2	-64.8	-87.9	0	0	0	112.8	V123 L126 I127 I168 L169 R170 I174	V123-F172 HydrophobicContact CB-CD1 4.01Å; V123-F172 HydrophobicContact CB-CD2 3.83Å; V123-F172 HydrophobicContact CB-CE1 4.09Å; V123-F172 HydrophobicContact CB-CE2 3.91Å; V123-F172 HydrophobicContact CB-CG 3.87Å; V123-F172 HydrophobicContact CB-CZ 4.04Å; V123-F172 HydrophobicContact CG1-CB 3.93Å; V123-F172 HydrophobicContact CG1-CD1 4.23Å; V123-F172 HydrophobicContact CG1-CD2 3.45Å; V123-F172 VanDerWaalsContact CG1-CD2 3.45Å; V123-F172 HydrophobicContact CG1-CE2 3.97Å; V123-F172 HydrophobicContact CG1-CG 3.59Å; V123-F172 HydrophobicContact CG2-CD2 4.24Å; V123-F172 HydrophobicContact CG2-CE2 3.88Å; V123-F172 HydrophobicContact CG2-CZ 4.04Å; L126-F172 HydrophobicContact CB-CD1 3.98Å; L126-F172 HydrophobicContact CD1-CB 3.88Å; L126-F172 HydrophobicContact CD1-CD1 4.16Å; L126-F172 HydrophobicContact CD1-CG 4.42Å; I127-F172 HydrophobicContact CD1-CE1 4.4Å; I127-F172 HydrophobicContact CD1-CZ 4.16Å; I127-F172 HydrophobicContact CG1-CE1 3.79Å; I127-F172 HydrophobicContact CG1-CZ 4.02Å; I168-F172 HydrophobicContact CG2-CD2 4.31Å; I168-F172 HydrophobicContact CG2-CE2 4.33Å; L169-F172 CarbonylContact O-C 3.56Å; L169-F172 PolarHBondContact O-N 2.9Å; R170-F172 VanDerWaalsContact C-N 3.26Å; R170-F172 PolarHBondContact O-N 2.85Å; F172-I174 HydrophobicContact CB-CD1 4.25Å; F172-I174 HydrophobicContact CB-CG1 4.14Å; F172-I174 PolarHBondContact O-N 3.2Å
173	Q	93.4	Very high	93.9	Very high	91 Å²	91	27 Å²	27	43%	0.425	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	28.9	-178.6	-55.3	-175	16.4	0	0	114.6	L169 R170 P175 F194 G445	L169-Q173 PolarHBondContact O-N 2.91Å; R170-Q173 PolarHBondContact O-N 2.82Å; R170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-P175 WeakPolarHBondContact O-CD 3.47Å; Q173-F194 HydrophobicContact CB-CE1 3.66Å; Q173-F194 HydrophobicContact CB-CE2 4.29Å; Q173-F194 HydrophobicContact CB-CZ 3.52Å; Q173-F194 HydrophobicContact CG-CE1 4.38Å; Q173-F194 HydrophobicContact CG-CE2 4.22Å; Q173-F194 HydrophobicContact CG-CZ 3.73Å; Q173-F194 WeakPolarHBondContact O-CD1 3.36Å; Q173-F194 WeakPolarHBondContact O-CE1 3.4Å; Q173-G445 CarbonylContact O-C 3.51Å; Q173-G445 WeakPolarHBondContact O-CA 3.34Å
174	I	95.5	Very high	93.9	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	14%	0.137	C	C	.	.			trans	-85.7	118	178.5	-58.1	179.5	0	0	0	108.9	V123 L126 V153 L169 F172	V123-I174 HydrophobicContact CG1-CD1 3.91Å; L126-I174 HydrophobicContact CD1-CD1 3.93Å; L126-I174 HydrophobicContact CD1-CG1 4.2Å; V153-I174 HydrophobicContact CG2-CG2 4.04Å; L169-I174 HydrophobicContact CB-CB 4.21Å; L169-I174 HydrophobicContact CD2-CB 4.16Å; L169-I174 HydrophobicContact CD2-CD1 4.14Å; L169-I174 HydrophobicContact CD2-CG2 4.26Å; L169-I174 PolarHBondContact O-N 3.41Å; F172-I174 HydrophobicContact CB-CD1 4.25Å; F172-I174 HydrophobicContact CB-CG1 4.14Å; F172-I174 PolarHBondContact O-N 3.2Å
175	P	96.8	Very high	93.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.132	C	C	.	.			trans	-70	143.7	176.1	28.7	-34.8	0	0	0	112.1	V151 G152 V153 Q173 F194 L448 L449 I452	V151-P175 WeakPolarHBondContact O-CD 3.38Å; G152-P175 CarbonylContact C-O 3.59Å; G152-P175 VanDerWaalsContact CA-O 3.27Å; G152-P175 WeakPolarHBondContact CA-O 3.42Å; V153-P175 PolarHBondContact N-O 2.73Å; Q173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-F194 WeakPolarHBondContact CA-O 3.3Å; P175-L448 HydrophobicContact CG-CD2 4Å; P175-L448 HydrophobicContact CG-CG 4.27Å; P175-L449 HydrophobicContact CB-CD1 4.31Å; P175-I452 HydrophobicContact CB-CD1 3.64Å; P175-I452 HydrophobicContact CG-CD1 3.78Å
176	Q	97.1	Very high	93.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.6	-178.6	-176.8	-175.6	-19.4	0	0	110.4	V153 G155 L169 F194 F195 S196	V153-Q176 CarbonylContact O-C 3.52Å; V153-Q176 WeakPolarHBondContact O-CA 3.42Å; G155-Q176 VanDerWaalsContact O-CG 3.24Å; G155-Q176 WeakPolarHBondContact O-CG 3.47Å; G155-Q176 PolarHBondContact O-NE2 3.33Å; L169-Q176 HydrophobicContact CD1-CB 4.02Å; L169-Q176 HydrophobicContact CD1-CG 4.22Å; Q176-F194 PolarHBondContact N-O 3.12Å; Q176-F195 HydrophobicContact CB-CD2 4.38Å; Q176-F195 HydrophobicContact CG-CD2 4.21Å; Q176-F195 HydrophobicContact CG-CE2 4.43Å; Q176-F195 CarbonylContact O-C 3.48Å; Q176-S196 PolarHBondContact O-N 2.72Å
177	I	98.1	Very high	93.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.9	173.6	-51.3	-179.2	0	0	0	109.3	V153 I154 G155 S196 V198 A414 A417 M418 I452 F467	V153-I177 PolarHBondContact O-N 3.22Å; I154-I177 WeakPolarHBondContact CA-O 3.48Å; I154-I177 HydrophobicContact CD1-CB 4.13Å; G155-I177 PolarHBondContact N-O 3.09Å; I177-S196 CarbonylContact C-O 3.58Å; I177-S196 VanDerWaalsContact CA-O 3.31Å; I177-S196 WeakPolarHBondContact CA-O 3.41Å; I177-V198 HydrophobicContact CG2-CG1 4.11Å; I177-A414 HydrophobicContact CG2-CB 3.8Å; I177-A417 HydrophobicContact CD1-CB 4.25Å; I177-M418 HydrophobicContact CD1-CB 4.3Å; I177-M418 HydrophobicContact CD1-CE 3.81Å; I177-M418 HydrophobicContact CG1-CE 4.01Å; I177-I452 HydrophobicContact CD1-CD1 4.26Å; I177-I452 HydrophobicContact CD1-CG1 4.37Å; I177-I452 HydrophobicContact CD1-CG2 3.73Å; I177-I452 HydrophobicContact CG1-CG2 4.14Å; I177-F467 HydrophobicContact CG2-CZ 4.34Å
178	S	97.2	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	140.9	174.6	-176	0	0	0	0	112.6	A156 A180 S181 S196 R197 V198	A156-S178 PolarHBondContact O-OG 3.31Å; S178-A180 PolarHBondContact OG-N 3.07Å; S178-S181 VanDerWaalsContact OG-CB 3.29Å; S178-S181 WeakPolarHBondContact OG-CB 3.14Å; S178-S181 PolarHBondContact OG-N 3.08Å; S178-S181 PolarHBondContact OG-OG 2.85Å; S178-S196 PolarHBondContact N-O 3.16Å; S178-R197 VanDerWaalsContact O-CA 3.25Å; S178-R197 WeakPolarHBondContact O-CA 3.24Å; S178-R197 WeakPolarHBondContact O-CB 3.49Å; S178-V198 PolarHBondContact O-N 3.17Å; S178-V198 VanDerWaalsContact O-N 3.16Å
179	Y	94.7	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-96.3	-4.4	174.5	55.8	-100.1	0	0	0	113.6	L54 F55 I154 S157 V199 F410 V411	L54-Y179 PolarHBondContact O-OH 3.4Å; F55-Y179 AromaticContact CD1-CE1 3.95Å; F55-Y179 HydrophobicContact CD1-CE1 3.95Å; F55-Y179 AromaticContact CD1-CZ 3.65Å; F55-Y179 WeakPolarHBondContact CD1-OH 3.47Å; F55-Y179 HydrophobicContact CE1-CD1 4.33Å; F55-Y179 AromaticContact CE1-CE1 3.52Å; F55-Y179 HydrophobicContact CE1-CE1 3.52Å; F55-Y179 AromaticContact CE1-CZ 3.69Å; F55-Y179 HydrophobicContact CZ-CE1 4.19Å; I154-Y179 HydrophobicContact CG2-CD1 3.97Å; I154-Y179 HydrophobicContact CG2-CE1 4.44Å; S157-Y179 PolarHBondContact N-OH 2.75Å; Y179-V199 WeakPolarHBondContact O-CG1 3.2Å; Y179-F410 WeakPolarHBondContact CB-O 3.49Å; Y179-F410 WeakPolarHBondContact O-CB 3.25Å; Y179-V411 HydrophobicContact CD1-CG2 3.99Å; Y179-V411 HydrophobicContact CD2-CG2 3.73Å; Y179-V411 HydrophobicContact CE1-CG2 4.43Å; Y179-V411 HydrophobicContact CE2-CG2 4.24Å; Y179-V411 HydrophobicContact CG-CG2 3.63Å
180	A	92.6	Very high	93.5	Very high	7 Å²	7	39.8 Å²	39.8	6%	0.058	19%	0.187	C	C	.	.	S	Bend	trans	-155.6	-6.1	-174.1	0	0	0	0	0	117.2	S157 S178 T182 K407	S157-A180 CarbonylContact O-C 3.54Å; S157-A180 VanDerWaalsContact O-C 3.29Å; S178-A180 PolarHBondContact OG-N 3.07Å; A180-T182 PolarHBondContact O-N 2.76Å; A180-K407 HydrophobicContact CB-CD 3.66Å
181	S	92.9	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.			trans	-86.1	102.2	-179.3	-65.5	0	0	0	0	112.1	A156 S157 G158 S162 S178 R197	A156-S181 PolarHBondContact O-OG 2.73Å; A156-S181 VanDerWaalsContact O-OG 3.11Å; S157-S181 PolarHBondContact O-N 2.7Å; S157-S181 PolarHBondContact O-OG 3.09Å; G158-S181 VanDerWaalsContact C-OG 3.3Å; G158-S181 PolarHBondContact O-OG 2.89Å; S162-S181 WeakPolarHBondContact CB-OG 3.41Å; S162-S181 PolarHBondContact OG-OG 2.8Å; S178-S181 VanDerWaalsContact OG-CB 3.29Å; S178-S181 WeakPolarHBondContact OG-CB 3.14Å; S178-S181 PolarHBondContact OG-N 3.08Å; S178-S181 PolarHBondContact OG-OG 2.85Å; S181-R197 WeakPolarHBondContact O-CD 3.22Å; S181-R197 PolarHBondContact O-NH1 3.25Å
182	T	93.3	Very high	93.6	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.037	16%	0.158	C	C	.	.			trans	-98.4	-4	-169.4	53.6	0	0	0	0	115	S159 A180 R197 V199 P200 P201 D202	S159-T182 PolarHBondContact OG-N 3.26Å; A180-T182 PolarHBondContact O-N 2.76Å; T182-R197 PolarHBondContact O-NH1 2.76Å; T182-V199 HydrophobicContact CG2-CB 4.33Å; T182-V199 HydrophobicContact CG2-CG2 3.88Å; T182-P200 WeakPolarHBondContact CG2-O 3.32Å; T182-P201 CarbonylContact O-C 3.58Å; T182-P201 WeakPolarHBondContact O-CA 3.44Å; T182-D202 WeakPolarHBondContact CB-OD1 3.43Å; T182-D202 PolarHBondContact O-N 2.91Å; T182-D202 VanDerWaalsContact OG1-CG 3.31Å; T182-D202 PolarHBondContact OG1-OD1 3.37Å; T182-D202 PolarHBondContact OG1-OD2 3.09Å
183	A	91.9	Very high	93.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.			trans	-52.7	134.8	-176.4	0	0	0	0	0	113.8	S159 E185 L186 R197 D202 S229	S159-A183 VanDerWaalsContact CB-CB 3.5Å; S159-A183 PolarHBondContact OG-N 2.98Å; A183-E185 VanDerWaalsContact C-N 3.31Å; A183-E185 PolarHBondContact O-N 3.39Å; A183-L186 HydrophobicContact CB-CD1 4.34Å; A183-L186 PolarHBondContact O-N 2.91Å; A183-R197 PolarHBondContact O-NH1 2.79Å; A183-R197 PolarHBondContact O-NH2 2.85Å; A183-D202 WeakPolarHBondContact CA-OD2 3.44Å; A183-D202 PolarHBondContact N-OD2 2.03Å; A183-S229 VanDerWaalsContact CB-O 3.23Å; A183-S229 WeakPolarHBondContact CB-O 3.39Å
184	P	92.2	Very high	93.8	Very high	27 Å²	27	29.5 Å²	29.5	18%	0.175	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-62.8	-31	-177.3	-25.4	35.4	0	0	0	114.3	L186 S187 D202 K233	P184-L186 PolarHBondContact O-N 2.9Å; P184-L186 VanDerWaalsContact O-N 3.13Å; P184-S187 WeakPolarHBondContact O-CB 3.32Å; P184-S187 PolarHBondContact O-N 3.2Å; P184-D202 HydrophobicContact CG-CB 4.03Å; P184-K233 HydrophobicContact CG-CB 4.41Å
185	E	91.1	Very high	93.9	Very high	46 Å²	46	29.3 Å²	29.3	22%	0.215	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.3	-27.4	179.2	-73.6	-168.3	-111.8	0	0	113.7	A183 S187 D188 R191 Y192 K233	A183-E185 VanDerWaalsContact C-N 3.31Å; A183-E185 PolarHBondContact O-N 3.39Å; E185-S187 PolarHBondContact O-N 2.98Å; E185-D188 PolarHBondContact O-N 3.4Å; E185-R191 IonicContact OE2-CZ 3.65Å; E185-R191 VanDerWaalsContact OE2-CZ 3.25Å; E185-R191 IonicContact OE2-NH1 3.81Å; E185-R191 PolarHBondContact OE2-NH1 3.18Å; E185-R191 IonicContact OE2-NH2 2.73Å; E185-R191 PolarHBondContact OE2-NH2 3.47Å; E185-Y192 VanDerWaalsContact O-CD2 3.25Å; E185-Y192 WeakPolarHBondContact O-CD2 3.35Å; E185-Y192 WeakPolarHBondContact O-CE2 3.47Å; E185-K233 HydrophobicContact CG-CD 4.1Å; E185-K233 HydrophobicContact CG-CG 4.39Å; E185-K233 VanDerWaalsContact OE1-CE 3.22Å; E185-K233 WeakPolarHBondContact OE1-CE 3.46Å
186	L	93.6	Very high	93.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-70.4	-11.7	179.6	-73.1	164	0	0	0	113.4	I163 A183 P184 D188 Y192 F195	I163-L186 HydrophobicContact CD1-CG 4.47Å; I163-L186 HydrophobicContact CG1-CD1 4.26Å; I163-L186 HydrophobicContact CG1-CD2 3.68Å; I163-L186 HydrophobicContact CG1-CG 3.85Å; A183-L186 HydrophobicContact CB-CD1 4.34Å; A183-L186 PolarHBondContact O-N 2.91Å; P184-L186 PolarHBondContact O-N 2.9Å; P184-L186 VanDerWaalsContact O-N 3.13Å; L186-D188 VanDerWaalsContact C-N 3.33Å; L186-Y192 HydrophobicContact CD2-CD1 4.11Å; L186-Y192 HydrophobicContact CD2-CD2 4.34Å; L186-Y192 HydrophobicContact CD2-CE1 4.32Å; L186-Y192 HydrophobicContact CD2-CG 4.13Å; L186-F195 HydrophobicContact CB-CD1 3.89Å; L186-F195 HydrophobicContact CB-CE1 3.68Å; L186-F195 HydrophobicContact CB-CZ 4.27Å; L186-F195 HydrophobicContact CD1-CE1 4.08Å; L186-F195 HydrophobicContact CD1-CE2 4.37Å; L186-F195 HydrophobicContact CD1-CZ 3.81Å; L186-F195 HydrophobicContact CD2-CD1 4.25Å; L186-F195 HydrophobicContact CD2-CD2 4.19Å; L186-F195 HydrophobicContact CD2-CE1 4.26Å; L186-F195 HydrophobicContact CD2-CE2 4.19Å; L186-F195 HydrophobicContact CD2-CG 4.22Å; L186-F195 HydrophobicContact CD2-CZ 4.22Å; L186-F195 HydrophobicContact CG-CE1 4.22Å; L186-F195 HydrophobicContact CG-CZ 4.33Å
187	S	93.6	Very high	93.8	Very high	21 Å²	21	29.2 Å²	29.2	15%	0.147	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-81.7	-5.9	171.8	-62	0	0	0	0	113.6	P184 E185 D189 R197 D472	P184-S187 WeakPolarHBondContact O-CB 3.32Å; P184-S187 PolarHBondContact O-N 3.2Å; E185-S187 PolarHBondContact O-N 2.98Å; S187-D189 PolarHBondContact O-N 3.3Å; S187-R197 PolarHBondContact OG-NH2 3.3Å; S187-D472 WeakPolarHBondContact CB-OD2 3.47Å; S187-D472 PolarHBondContact OG-OD1 3.1Å; S187-D472 PolarHBondContact OG-OD2 2.66Å
188	D	93.4	Very high	93.7	Very high	59 Å²	59	29.8 Å²	29.8	32%	0.316	14%	0.138	S	C	.	.			trans	-76.3	91.1	175.4	-178.5	13.4	0	0	0	111	E185 L186 R190 R191 Y192	E185-D188 PolarHBondContact O-N 3.4Å; L186-D188 VanDerWaalsContact C-N 3.33Å; D188-R190 PolarHBondContact O-N 3.29Å; D188-R190 WeakPolarHBondContact OD1-CB 3.24Å; D188-R190 WeakPolarHBondContact OD1-CG 3.39Å; D188-R190 PolarHBondContact OD1-N 3.21Å; D188-R191 HydrophobicContact CB-CB 4.38Å; D188-R191 PolarHBondContact O-N 3.34Å; D188-R191 WeakPolarHBondContact OD2-CD 3.32Å; D188-R191 WeakPolarHBondContact OD2-CG 3.49Å; D188-Y192 PolarHBondContact O-N 3.28Å
189	D	89.1	Confident	93.5	Very high	68 Å²	68	29.8 Å²	29.8	36%	0.364	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-13.5	176.5	-161.4	49.9	0	0	0	113.7	S187 D193 R453	S187-D189 PolarHBondContact O-N 3.3Å; D189-D193 WeakPolarHBondContact O-CB 3.21Å; D189-R453 IonicContact OD1-CZ 3.2Å; D189-R453 IonicContact OD1-NH1 3.4Å; D189-R453 PolarHBondContact OD1-NH1 2.81Å; D189-R453 IonicContact OD1-NH2 2.75Å; D189-R453 PolarHBondContact OD1-NH2 3.05Å; D189-R453 IonicContact OD2-NH1 2.73Å
190	R	91.3	Very high	93.5	Very high	218 Å²	218	30.2 Å²	30.2	82%	0.823	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.5	172.9	-52.2	173.9	63.8	-171.5	-2.3	112.4	R170 D188	R170-R190 PolarHBondContact NH2-O 2.94Å; D188-R190 PolarHBondContact O-N 3.29Å; D188-R190 WeakPolarHBondContact OD1-CB 3.24Å; D188-R190 WeakPolarHBondContact OD1-CG 3.39Å; D188-R190 PolarHBondContact OD1-N 3.21Å
191	R	92.1	Very high	93.5	Very high	95 Å²	95	30 Å²	30	36%	0.358	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-33.6	179.4	-77.2	172.8	58.6	-170.6	-6.5	112.8	R170 E185 D188	R170-R191 WeakPolarHBondContact CD-O 3.3Å; R170-R191 PolarHBondContact NE-O 2.82Å; R170-R191 PolarHBondContact NH1-O 3.31Å; E185-R191 IonicContact OE2-CZ 3.65Å; E185-R191 VanDerWaalsContact OE2-CZ 3.25Å; E185-R191 IonicContact OE2-NH1 3.81Å; E185-R191 PolarHBondContact OE2-NH1 3.18Å; E185-R191 IonicContact OE2-NH2 2.73Å; E185-R191 PolarHBondContact OE2-NH2 3.47Å; D188-R191 HydrophobicContact CB-CB 4.38Å; D188-R191 PolarHBondContact O-N 3.34Å; D188-R191 WeakPolarHBondContact OD2-CD 3.32Å; D188-R191 WeakPolarHBondContact OD2-CG 3.49Å
192	Y	94.3	Very high	93.5	Very high	6 Å²	6	30 Å²	30	2%	0.024	14%	0.139	C	C	.	.			trans	-126.6	44.8	-169.6	-59.6	-67.4	0	0	0	111.7	A166 E185 L186 D188 F194 F195	A166-Y192 HydrophobicContact CB-CD1 3.82Å; A166-Y192 HydrophobicContact CB-CE1 4.26Å; E185-Y192 VanDerWaalsContact O-CD2 3.25Å; E185-Y192 WeakPolarHBondContact O-CD2 3.35Å; E185-Y192 WeakPolarHBondContact O-CE2 3.47Å; L186-Y192 HydrophobicContact CD2-CD1 4.11Å; L186-Y192 HydrophobicContact CD2-CD2 4.34Å; L186-Y192 HydrophobicContact CD2-CE1 4.32Å; L186-Y192 HydrophobicContact CD2-CG 4.13Å; D188-Y192 PolarHBondContact O-N 3.28Å; Y192-F194 PolarHBondContact O-N 3.36Å; Y192-F195 WeakPolarHBondContact O-CB 3.49Å; Y192-F195 PolarHBondContact O-N 3.18Å
193	D	93.4	Very high	93.5	Very high	44 Å²	44	31.7 Å²	31.7	24%	0.235	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.4	-175.8	55.5	-44.1	0	0	0	114.6	R170 D189 L449 R453	R170-D193 IonicContact CZ-OD1 2.71Å; R170-D193 IonicContact NE-OD1 3.62Å; R170-D193 PolarHBondContact NE-OD1 2.78Å; R170-D193 IonicContact NH2-OD1 3.15Å; R170-D193 PolarHBondContact NH2-OD1 2.86Å; D189-D193 WeakPolarHBondContact O-CB 3.21Å; D193-L449 WeakPolarHBondContact O-CD2 3.22Å; D193-R453 PolarHBondContact O-NH2 3.2Å
194	F	95.8	Very high	93.6	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.048	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.1	176.5	-77.3	-91.2	0	0	0	114.8	R170 Q173 P175 Q176 Y192 K446 L449	R170-F194 HydrophobicContact CB-CB 4.27Å; R170-F194 HydrophobicContact CB-CD2 3.93Å; R170-F194 HydrophobicContact CB-CG 4.45Å; Q173-F194 HydrophobicContact CB-CE1 3.66Å; Q173-F194 HydrophobicContact CB-CE2 4.29Å; Q173-F194 HydrophobicContact CB-CZ 3.52Å; Q173-F194 HydrophobicContact CG-CE1 4.38Å; Q173-F194 HydrophobicContact CG-CE2 4.22Å; Q173-F194 HydrophobicContact CG-CZ 3.73Å; Q173-F194 WeakPolarHBondContact O-CD1 3.36Å; Q173-F194 WeakPolarHBondContact O-CE1 3.4Å; P175-F194 WeakPolarHBondContact CA-O 3.3Å; Q176-F194 PolarHBondContact N-O 3.12Å; Y192-F194 PolarHBondContact O-N 3.36Å; F194-K446 HydrophobicContact CE1-CB 4.14Å; F194-K446 HydrophobicContact CZ-CB 3.94Å; F194-K446 HydrophobicContact CZ-CD 4.5Å; F194-K446 HydrophobicContact CZ-CG 4.23Å; F194-L449 HydrophobicContact CD1-CD2 4.16Å; F194-L449 HydrophobicContact CE1-CD2 4.26Å
195	F	97.2	Very high	93.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	151.3	177.9	-170.7	-98.7	0	0	0	111.9	A166 Q176 L186 Y192 R197 R453	A166-F195 HydrophobicContact CB-CD2 4.49Å; Q176-F195 HydrophobicContact CB-CD2 4.38Å; Q176-F195 HydrophobicContact CG-CD2 4.21Å; Q176-F195 HydrophobicContact CG-CE2 4.43Å; Q176-F195 CarbonylContact O-C 3.48Å; L186-F195 HydrophobicContact CB-CD1 3.89Å; L186-F195 HydrophobicContact CB-CE1 3.68Å; L186-F195 HydrophobicContact CB-CZ 4.27Å; L186-F195 HydrophobicContact CD1-CE1 4.08Å; L186-F195 HydrophobicContact CD1-CE2 4.37Å; L186-F195 HydrophobicContact CD1-CZ 3.81Å; L186-F195 HydrophobicContact CD2-CD1 4.25Å; L186-F195 HydrophobicContact CD2-CD2 4.19Å; L186-F195 HydrophobicContact CD2-CE1 4.26Å; L186-F195 HydrophobicContact CD2-CE2 4.19Å; L186-F195 HydrophobicContact CD2-CG 4.22Å; L186-F195 HydrophobicContact CD2-CZ 4.22Å; L186-F195 HydrophobicContact CG-CE1 4.22Å; L186-F195 HydrophobicContact CG-CZ 4.33Å; Y192-F195 WeakPolarHBondContact O-CB 3.49Å; Y192-F195 PolarHBondContact O-N 3.18Å; F195-R197 HydrophobicContact CE1-CB 4.01Å; F195-R197 HydrophobicContact CE1-CG 3.93Å; F195-R197 HydrophobicContact CZ-CB 4.2Å; F195-R453 PolarHBondContact O-NH2 2.79Å
196	S	97.1	Very high	93.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	164.8	166.7	-65	0	0	0	0	109.2	Q176 I177 S178 G471	Q176-S196 PolarHBondContact O-N 2.72Å; I177-S196 CarbonylContact C-O 3.58Å; I177-S196 VanDerWaalsContact CA-O 3.31Å; I177-S196 WeakPolarHBondContact CA-O 3.41Å; S178-S196 PolarHBondContact N-O 3.16Å; S196-G471 CarbonylContact C-O 3.52Å; S196-G471 WeakPolarHBondContact CA-O 3.44Å; S196-G471 WeakPolarHBondContact CB-O 3.47Å
197	R	96.1	Very high	94	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.5	-179.9	53	177.3	163.3	-151.9	-9.1	113.1	S178 S181 T182 A183 S187 F195 V199 F467 G471 D472 A473	S178-R197 VanDerWaalsContact O-CA 3.25Å; S178-R197 WeakPolarHBondContact O-CA 3.24Å; S178-R197 WeakPolarHBondContact O-CB 3.49Å; S181-R197 WeakPolarHBondContact O-CD 3.22Å; S181-R197 PolarHBondContact O-NH1 3.25Å; T182-R197 PolarHBondContact O-NH1 2.76Å; A183-R197 PolarHBondContact O-NH1 2.79Å; A183-R197 PolarHBondContact O-NH2 2.85Å; S187-R197 PolarHBondContact OG-NH2 3.3Å; F195-R197 HydrophobicContact CE1-CB 4.01Å; F195-R197 HydrophobicContact CE1-CG 3.93Å; F195-R197 HydrophobicContact CZ-CB 4.2Å; R197-V199 VanDerWaalsContact C-N 3.26Å; R197-V199 HydrophobicContact CB-CG2 4.3Å; R197-V199 VanDerWaalsContact CD-O 3.29Å; R197-V199 WeakPolarHBondContact CD-O 3.18Å; R197-V199 WeakPolarHBondContact CG-O 3.17Å; R197-V199 PolarHBondContact O-N 2.95Å; R197-F467 WeakPolarHBondContact O-CE1 3.44Å; R197-G471 PolarHBondContact N-O 3.15Å; R197-D472 IonicContact CZ-OD1 2.61Å; R197-D472 IonicContact NE-OD1 3.35Å; R197-D472 PolarHBondContact NE-OD1 2.86Å; R197-D472 IonicContact NH2-OD1 2.92Å; R197-D472 PolarHBondContact NH2-OD1 2.97Å; R197-A473 PolarHBondContact O-N 3.28Å; R197-A473 VanDerWaalsContact O-N 3.13Å
198	V	95	Very high	94.1	Very high	12 Å²	12	32.9 Å²	32.9	7%	0.073	15%	0.151	C	C	.	.	S	Bend	trans	-86.5	4.6	177.6	-60.3	0	0	0	0	113.2	I177 S178 F410 A414 V465 F467 A473	I177-V198 HydrophobicContact CG2-CG1 4.11Å; S178-V198 PolarHBondContact O-N 3.17Å; S178-V198 VanDerWaalsContact O-N 3.16Å; V198-F410 HydrophobicContact CG2-CB 3.94Å; V198-F410 HydrophobicContact CG2-CD1 4.39Å; V198-F410 VanDerWaalsContact CG2-O 3.25Å; V198-F410 WeakPolarHBondContact CG2-O 3.36Å; V198-A414 HydrophobicContact CG1-CB 4.28Å; V198-A414 HydrophobicContact CG2-CB 4.02Å; V198-V465 HydrophobicContact CG1-CG1 3.99Å; V198-F467 HydrophobicContact CG1-CE1 3.89Å; V198-F467 HydrophobicContact CG1-CZ 3.92Å; V198-A473 VanDerWaalsContact C-CB 3.47Å; V198-A473 WeakPolarHBondContact O-CB 3.4Å
199	V	93.3	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-113.8	145.6	172.9	-68.1	0	0	0	0	110.5	Y179 T182 R197 F410	Y179-V199 WeakPolarHBondContact O-CG1 3.2Å; T182-V199 HydrophobicContact CG2-CB 4.33Å; T182-V199 HydrophobicContact CG2-CG2 3.88Å; R197-V199 VanDerWaalsContact C-N 3.26Å; R197-V199 HydrophobicContact CB-CG2 4.3Å; R197-V199 VanDerWaalsContact CD-O 3.29Å; R197-V199 WeakPolarHBondContact CD-O 3.18Å; R197-V199 WeakPolarHBondContact CG-O 3.17Å; R197-V199 PolarHBondContact O-N 2.95Å; V199-F410 HydrophobicContact CG1-CB 4.05Å; V199-F410 HydrophobicContact CG1-CD1 3.88Å; V199-F410 HydrophobicContact CG1-CD2 3.67Å; V199-F410 HydrophobicContact CG1-CE1 4.26Å; V199-F410 HydrophobicContact CG1-CE2 4.08Å; V199-F410 HydrophobicContact CG1-CG 3.58Å; V199-F410 HydrophobicContact CG1-CZ 4.36Å
200	P	93.6	Very high	94.6	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.058	12%	0.119	C	C	.	.			trans	-72.8	152.3	-179.8	29	-35.5	0	0	0	112.9	T182 F204 Y477	T182-P200 WeakPolarHBondContact CG2-O 3.32Å; P200-F204 HydrophobicContact CB-CD2 4.13Å; P200-Y477 HydrophobicContact CG-CE1 4.17Å; P200-Y477 WeakPolarHBondContact CG-OH 3.2Å
201	P	94.1	Very high	94.8	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.013	9%	0.089	C	C	.	.			trans	-65.6	155.9	174.2	19.1	-29.6	0	0	0	114.8	T182 S203 F204 D472 Y477	T182-P201 CarbonylContact O-C 3.58Å; T182-P201 WeakPolarHBondContact O-CA 3.44Å; P201-S203 PolarHBondContact O-N 2.88Å; P201-F204 HydrophobicContact CG-CD2 3.65Å; P201-F204 HydrophobicContact CG-CE2 3.76Å; P201-F204 PolarHBondContact O-N 2.7Å; P201-F204 VanDerWaalsContact O-N 3.16Å; P201-D472 HydrophobicContact CG-CB 4.41Å; P201-Y477 PolarHBondContact O-OH 3.2Å
202	D	92.6	Very high	95	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.4	-10.5	175.4	-53.8	-43.5	0	0	0	113.2	T182 A183 P184 Q205 A206 Y230 F286	T182-D202 WeakPolarHBondContact CB-OD1 3.43Å; T182-D202 PolarHBondContact O-N 2.91Å; T182-D202 VanDerWaalsContact OG1-CG 3.31Å; T182-D202 PolarHBondContact OG1-OD1 3.37Å; T182-D202 PolarHBondContact OG1-OD2 3.09Å; A183-D202 WeakPolarHBondContact CA-OD2 3.44Å; A183-D202 PolarHBondContact N-OD2 2.03Å; P184-D202 HydrophobicContact CG-CB 4.03Å; D202-Q205 WeakPolarHBondContact O-CB 3.49Å; D202-Q205 PolarHBondContact O-N 3.12Å; D202-Q205 PolarHBondContact OD1-OE1 2.94Å; D202-A206 WeakPolarHBondContact O-CB 3.46Å; D202-A206 PolarHBondContact O-N 3.15Å; D202-Y230 WeakPolarHBondContact OD1-CE2 3.47Å; D202-Y230 WeakPolarHBondContact OD2-CD2 3.47Å; D202-F286 HydrophobicContact CB-CE1 4.46Å
203	S	93.4	Very high	95	Very high	42 Å²	42	13.4 Å²	13.4	29%	0.294	7%	0.071	S	C	.	.	H	α-helix	trans	-68.7	-40.7	173.2	52.2	0	0	0	0	112.3	P201 Q205 A206 Q207	P201-S203 PolarHBondContact O-N 2.88Å; S203-Q205 VanDerWaalsContact C-N 3.35Å; S203-A206 PolarHBondContact O-N 2.97Å; S203-Q207 PolarHBondContact O-N 3.33Å
204	F	94.4	Very high	95	Very high	59 Å²	59	15.1 Å²	15.1	26%	0.259	8%	0.076	S	C	.	.	H	α-helix	trans	-69.8	-35.4	171.9	-63.6	-65.7	0	0	0	111.2	P200 P201 Q207 A208 Y477 W498	P200-F204 HydrophobicContact CB-CD2 4.13Å; P201-F204 HydrophobicContact CG-CD2 3.65Å; P201-F204 HydrophobicContact CG-CE2 3.76Å; P201-F204 PolarHBondContact O-N 2.7Å; P201-F204 VanDerWaalsContact O-N 3.16Å; F204-Q207 PolarHBondContact O-N 2.88Å; F204-A208 PolarHBondContact O-N 2.82Å; F204-Y477 HydrophobicContact CB-CE2 3.89Å; F204-W498 HydrophobicContact CB-CH2 4.33Å; F204-W498 HydrophobicContact CB-CZ3 4.28Å; F204-W498 AromaticContact CD1-CH2 3.97Å; F204-W498 HydrophobicContact CD1-CH2 3.97Å; F204-W498 HydrophobicContact CD1-CZ3 4.39Å
205	Q	94.3	Very high	94.9	Very high	2 Å²	2	17 Å²	17	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-45	173.7	-171	-179.7	72.1	0	0	111.3	D202 S203 A208 M209 F286 D314 I336 Y477	D202-Q205 WeakPolarHBondContact O-CB 3.49Å; D202-Q205 PolarHBondContact O-N 3.12Å; D202-Q205 PolarHBondContact OD1-OE1 2.94Å; S203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-A208 PolarHBondContact O-N 3.32Å; Q205-M209 WeakPolarHBondContact O-CG 3.49Å; Q205-M209 PolarHBondContact O-N 3.07Å; Q205-F286 HydrophobicContact CG-CE1 4.33Å; Q205-D314 VanDerWaalsContact NE2-N 3.15Å; Q205-D314 PolarHBondContact NE2-OD1 3.48Å; Q205-I336 HydrophobicContact CG-CD1 3.37Å; Q205-I336 HydrophobicContact CG-CG1 3.99Å; Q205-Y477 HydrophobicContact CB-CE1 4.22Å; Q205-Y477 HydrophobicContact CG-CE1 4.41Å; Q205-Y477 PolarHBondContact N-OH 3.36Å
206	A	95.5	Very high	94.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65	-38.3	175.7	0	0	0	0	0	112.6	D202 S203 M209 V210 F238 I241 F286	D202-A206 WeakPolarHBondContact O-CB 3.46Å; D202-A206 PolarHBondContact O-N 3.15Å; S203-A206 PolarHBondContact O-N 2.97Å; A206-M209 PolarHBondContact O-N 3.32Å; A206-V210 WeakPolarHBondContact O-CG2 3.5Å; A206-V210 PolarHBondContact O-N 2.84Å; A206-F238 HydrophobicContact CB-CB 4.05Å; A206-I241 HydrophobicContact CB-CD1 4Å; A206-F286 HydrophobicContact CB-CZ 4.1Å
207	Q	95.3	Very high	94.5	Very high	60 Å²	60	19.9 Å²	19.9	28%	0.28	12%	0.122	S	C	.	.	H	α-helix	trans	-59.3	-53.8	171.9	-175.7	62.3	59.5	0	0	110.7	S203 F204 M209 V210 D211 I241 W498	S203-Q207 PolarHBondContact O-N 3.33Å; F204-Q207 PolarHBondContact O-N 2.88Å; Q207-M209 VanDerWaalsContact C-N 3.25Å; Q207-M209 PolarHBondContact O-N 3.46Å; Q207-V210 PolarHBondContact O-N 2.85Å; Q207-D211 PolarHBondContact NE2-OD1 3.2Å; Q207-D211 PolarHBondContact O-N 3.4Å; Q207-I241 HydrophobicContact CB-CD1 4.2Å; Q207-I241 VanDerWaalsContact OE1-CG2 3.23Å; Q207-W498 HydrophobicContact CB-CZ2 4.21Å; Q207-W498 HydrophobicContact CG-CZ2 3.78Å
208	A	95.9	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.4	-38.4	177.8	0	0	0	0	0	112.6	F204 Q205 D211 I212 Y477 W498	F204-A208 PolarHBondContact O-N 2.82Å; Q205-A208 PolarHBondContact O-N 3.32Å; A208-D211 PolarHBondContact O-N 3.44Å; A208-I212 WeakPolarHBondContact O-CB 3.21Å; A208-I212 WeakPolarHBondContact O-CD1 3.3Å; A208-I212 WeakPolarHBondContact O-CG1 3.49Å; A208-I212 PolarHBondContact O-N 3.29Å; A208-Y477 HydrophobicContact CB-CD2 4.47Å; A208-W498 HydrophobicContact CB-CB 4.16Å; A208-W498 HydrophobicContact CB-CD2 3.86Å; A208-W498 HydrophobicContact CB-CG 3.61Å
209	M	96.2	Very high	94.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-41.4	173.8	-73	175.7	126.3	0	0	113.1	Q205 A206 Q207 D211 I212 V213 F238 V284 F286 V311 I336	Q205-M209 WeakPolarHBondContact O-CG 3.49Å; Q205-M209 PolarHBondContact O-N 3.07Å; A206-M209 PolarHBondContact O-N 3.32Å; Q207-M209 VanDerWaalsContact C-N 3.25Å; Q207-M209 PolarHBondContact O-N 3.46Å; M209-D211 VanDerWaalsContact C-N 3.34Å; M209-I212 PolarHBondContact O-N 2.82Å; M209-V213 WeakPolarHBondContact O-CB 3.5Å; M209-V213 WeakPolarHBondContact O-CG2 3.39Å; M209-V213 PolarHBondContact O-N 3.49Å; M209-F238 HydrophobicContact CB-CD2 3.86Å; M209-F238 HydrophobicContact CB-CE2 3.87Å; M209-V284 HydrophobicContact CE-CG1 3.88Å; M209-V284 HydrophobicContact SD-CG1 3.92Å; M209-F286 HydrophobicContact CE-CE2 4.38Å; M209-F286 HydrophobicContact SD-CD2 4.37Å; M209-F286 HydrophobicContact SD-CE1 4.14Å; M209-F286 HydrophobicContact SD-CE2 3.49Å; M209-F286 WeakPolarHBondContact SD-CE2 3.42Å; M209-F286 HydrophobicContact SD-CZ 3.36Å; M209-F286 WeakPolarHBondContact SD-CZ 3.44Å; M209-V311 HydrophobicContact CE-CB 4.42Å; M209-V311 HydrophobicContact CE-CG1 3.9Å; M209-V311 VanDerWaalsContact CE-O 3.25Å; M209-V311 WeakPolarHBondContact CE-O 3.49Å; M209-V311 HydrophobicContact CG-CG1 4.31Å; M209-I336 HydrophobicContact CE-CD1 3.89Å; M209-I336 HydrophobicContact CG-CD1 3.34Å; M209-I336 HydrophobicContact SD-CD1 3.73Å
210	V	96	Very high	94.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-41.4	175	171.8	0	0	0	0	110.6	A206 Q207 V213 K214 F238 I241 A245 L248	A206-V210 WeakPolarHBondContact O-CG2 3.5Å; A206-V210 PolarHBondContact O-N 2.84Å; Q207-V210 PolarHBondContact O-N 2.85Å; V210-V213 PolarHBondContact O-N 2.81Å; V210-K214 HydrophobicContact CG1-CD 4.05Å; V210-K214 HydrophobicContact CG1-CG 4.44Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 WeakPolarHBondContact O-CG 3.15Å; V210-K214 PolarHBondContact O-N 3.39Å; V210-F238 HydrophobicContact CB-CE2 4.38Å; V210-F238 HydrophobicContact CG2-CD2 3.53Å; V210-F238 HydrophobicContact CG2-CE2 3.47Å; V210-F238 VanDerWaalsContact CG2-CE2 3.47Å; V210-F238 HydrophobicContact CG2-CG 4.24Å; V210-F238 HydrophobicContact CG2-CZ 4.15Å; V210-I241 HydrophobicContact CB-CG2 4.03Å; V210-I241 HydrophobicContact CG1-CG2 4.13Å; V210-I241 HydrophobicContact CG2-CB 4.19Å; V210-I241 HydrophobicContact CG2-CG2 3.86Å; V210-A245 HydrophobicContact CG1-CB 4.41Å; V210-L248 HydrophobicContact CG1-CD2 4.3Å
211	D	95.6	Very high	94.4	Very high	37 Å²	37	22.1 Å²	22.1	20%	0.198	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-44.2	178.6	-58.5	-26.4	0	0	0	111.2	Q207 A208 M209 K214 A215 W498 L502	Q207-D211 PolarHBondContact NE2-OD1 3.2Å; Q207-D211 PolarHBondContact O-N 3.4Å; A208-D211 PolarHBondContact O-N 3.44Å; M209-D211 VanDerWaalsContact C-N 3.34Å; D211-K214 PolarHBondContact O-N 2.8Å; D211-A215 WeakPolarHBondContact O-CB 3.06Å; D211-A215 PolarHBondContact O-N 2.04Å; D211-W498 PolarHBondContact OD2-NE1 2.86Å; D211-L502 VanDerWaalsContact C-CD2 3.47Å; D211-L502 HydrophobicContact CB-CB 4.09Å; D211-L502 HydrophobicContact CB-CD2 3.88Å; D211-L502 WeakPolarHBondContact O-CD2 3.3Å
212	I	95.7	Very high	94.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-50.6	175.5	-70.4	162.1	0	0	0	110.6	A208 M209 K214 A215 L216 I334 I336 I479 L502	A208-I212 WeakPolarHBondContact O-CB 3.21Å; A208-I212 WeakPolarHBondContact O-CD1 3.3Å; A208-I212 WeakPolarHBondContact O-CG1 3.49Å; A208-I212 PolarHBondContact O-N 3.29Å; M209-I212 PolarHBondContact O-N 2.82Å; I212-K214 VanDerWaalsContact C-N 3.26Å; I212-K214 PolarHBondContact O-N 2.81Å; I212-A215 PolarHBondContact O-N 3.44Å; I212-L216 HydrophobicContact CG2-CD1 3.91Å; I212-L216 VanDerWaalsContact O-CG 3.31Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å; I212-L216 PolarHBondContact O-N 3.16Å; I212-I334 HydrophobicContact CG2-CD1 4.21Å; I212-I334 HydrophobicContact CG2-CG2 4.4Å; I212-I336 HydrophobicContact CD1-CG2 3.7Å; I212-I479 HydrophobicContact CD1-CD1 3.88Å; I212-I479 HydrophobicContact CD1-CG1 4.22Å; I212-I479 HydrophobicContact CD1-CG2 4Å; I212-I479 HydrophobicContact CG1-CD1 4.15Å; I212-L502 HydrophobicContact CG1-CD1 3.96Å; I212-L502 HydrophobicContact CG1-CD2 4.05Å
213	V	95.6	Very high	94.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-39.9	179.7	167.5	0	0	0	0	111.1	M209 V210 W218 V221 L248 V284	M209-V213 WeakPolarHBondContact O-CB 3.5Å; M209-V213 WeakPolarHBondContact O-CG2 3.39Å; M209-V213 PolarHBondContact O-N 3.49Å; V210-V213 PolarHBondContact O-N 2.81Å; V213-W218 HydrophobicContact CG1-CB 3.95Å; V213-W218 HydrophobicContact CG2-CE3 4.26Å; V213-W218 PolarHBondContact O-N 3.08Å; V213-W218 VanDerWaalsContact O-N 3.14Å; V213-V221 HydrophobicContact CG1-CG1 3.74Å; V213-L248 HydrophobicContact CB-CD2 4.43Å; V213-L248 HydrophobicContact CG1-CD1 3.66Å; V213-L248 HydrophobicContact CG1-CD2 3.74Å; V213-L248 HydrophobicContact CG1-CG 4.38Å; V213-V284 HydrophobicContact CG2-CG2 4.29Å
214	K	93.4	Very high	94.8	Very high	81 Å²	81	20.1 Å²	20.1	35%	0.352	12%	0.116	S	C	.	.	H	α-helix	trans	-69.2	-43.3	175.4	-76.9	-178.9	168.1	-132.9	0	113.4	V210 D211 I212 L216 G217 A245 G246	V210-K214 HydrophobicContact CG1-CD 4.05Å; V210-K214 HydrophobicContact CG1-CG 4.44Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 WeakPolarHBondContact O-CG 3.15Å; V210-K214 PolarHBondContact O-N 3.39Å; D211-K214 PolarHBondContact O-N 2.8Å; I212-K214 VanDerWaalsContact C-N 3.26Å; I212-K214 PolarHBondContact O-N 2.81Å; K214-L216 PolarHBondContact O-N 2.89Å; K214-G217 PolarHBondContact O-N 3.19Å; K214-A245 PolarHBondContact NZ-O 2.87Å; K214-G246 VanDerWaalsContact CE-O 3.24Å; K214-G246 WeakPolarHBondContact CE-O 3.43Å; K214-G246 PolarHBondContact NZ-O 3.43Å
215	A	93.8	Very high	94.8	Very high	49 Å²	49	17.4 Å²	17.4	41%	0.405	11%	0.105	S	C	.	.	H	α-helix	trans	-62	-29	177.9	0	0	0	0	0	112.6	D211 I212 G217 L502 L504	D211-A215 WeakPolarHBondContact O-CB 3.06Å; D211-A215 PolarHBondContact O-N 2.04Å; I212-A215 PolarHBondContact O-N 3.44Å; A215-G217 VanDerWaalsContact C-N 3.29Å; A215-L502 HydrophobicContact CB-CD2 3.82Å; A215-L504 HydrophobicContact CB-CD2 4.42Å
216	L	93.4	Very high	94.7	Very high	9 Å²	9	17.4 Å²	17.4	5%	0.047	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.7	174.6	-61.9	173.4	0	0	0	114	I212 K214 W218 I334 L504 M509 W511 I518	I212-L216 HydrophobicContact CG2-CD1 3.91Å; I212-L216 VanDerWaalsContact O-CG 3.31Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å; I212-L216 PolarHBondContact O-N 3.16Å; K214-L216 PolarHBondContact O-N 2.89Å; L216-W218 HydrophobicContact CB-CD2 3.99Å; L216-W218 HydrophobicContact CB-CE3 4.42Å; L216-W218 HydrophobicContact CB-CG 4.23Å; L216-W218 HydrophobicContact CB-CZ2 4.44Å; L216-W218 HydrophobicContact CD1-CD2 4.36Å; L216-W218 HydrophobicContact CD1-CE3 4.11Å; L216-W218 HydrophobicContact CD1-CH2 3.67Å; L216-W218 HydrophobicContact CD1-CZ2 3.92Å; L216-W218 HydrophobicContact CD1-CZ3 3.77Å; L216-W218 PolarHBondContact O-N 2.7Å; L216-I334 HydrophobicContact CD1-CD1 3.56Å; L216-L504 HydrophobicContact CD2-CD2 4.37Å; L216-M509 HydrophobicContact CD2-CE 3.87Å; L216-M509 HydrophobicContact CD2-SD 3.96Å; L216-W511 HydrophobicContact CD1-CH2 4.25Å; L216-W511 HydrophobicContact CD2-CZ2 4.29Å; L216-I518 HydrophobicContact CB-CG2 4.17Å; L216-I518 HydrophobicContact CD2-CD1 3.81Å; L216-I518 HydrophobicContact CD2-CG1 4.29Å; L216-I518 HydrophobicContact CD2-CG2 4.25Å
217	G	91.8	Very high	94.3	Very high	55 Å²	55	21.7 Å²	21.7	57%	0.567	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	14.1	179.6	0	0	0	0	0	114.7	K214 A215	K214-G217 PolarHBondContact O-N 3.19Å; A215-G217 VanDerWaalsContact C-N 3.29Å
218	W	93.8	Very high	93.7	Very high	6 Å²	6	20.3 Å²	20.3	2%	0.023	13%	0.127	C	C	.	.			trans	-79.6	130.7	179.4	-63.1	-14.5	0	0	0	110.7	V213 L216 V221 A282 L309 V311 W511 I518 P519	V213-W218 HydrophobicContact CG1-CB 3.95Å; V213-W218 HydrophobicContact CG2-CE3 4.26Å; V213-W218 PolarHBondContact O-N 3.08Å; V213-W218 VanDerWaalsContact O-N 3.14Å; L216-W218 HydrophobicContact CB-CD2 3.99Å; L216-W218 HydrophobicContact CB-CE3 4.42Å; L216-W218 HydrophobicContact CB-CG 4.23Å; L216-W218 HydrophobicContact CB-CZ2 4.44Å; L216-W218 HydrophobicContact CD1-CD2 4.36Å; L216-W218 HydrophobicContact CD1-CE3 4.11Å; L216-W218 HydrophobicContact CD1-CH2 3.67Å; L216-W218 HydrophobicContact CD1-CZ2 3.92Å; L216-W218 HydrophobicContact CD1-CZ3 3.77Å; L216-W218 PolarHBondContact O-N 2.7Å; W218-V221 HydrophobicContact CB-CG1 4.44Å; W218-A282 HydrophobicContact CD2-CB 3.87Å; W218-A282 HydrophobicContact CE3-CB 3.39Å; W218-A282 HydrophobicContact CH2-CB 4.21Å; W218-A282 HydrophobicContact CZ3-CB 3.58Å; W218-L309 HydrophobicContact CH2-CB 3.88Å; W218-L309 HydrophobicContact CH2-CD1 4.26Å; W218-L309 HydrophobicContact CZ2-CB 4.13Å; W218-L309 HydrophobicContact CZ2-CD1 3.66Å; W218-L309 HydrophobicContact CZ2-CG 4.46Å; W218-V311 HydrophobicContact CZ3-CG2 3.78Å; W218-W511 AromaticContact CH2-CH2 3.75Å; W218-W511 HydrophobicContact CH2-CH2 3.75Å; W218-W511 HydrophobicContact CH2-CZ3 4.1Å; W218-W511 AromaticContact CZ2-CH2 3.62Å; W218-W511 HydrophobicContact CZ2-CH2 3.62Å; W218-W511 HydrophobicContact CZ2-CZ2 4.36Å; W218-W511 HydrophobicContact CZ2-CZ3 4.09Å; W218-I518 HydrophobicContact CZ2-CG2 4.42Å; W218-P519 PolarHBondContact NE1-O 3.31Å
219	N	91.4	Very high	93.3	Very high	32 Å²	32	21.8 Å²	21.8	17%	0.171	14%	0.137	C	C	.	.			trans	-120.2	-4.1	-178.9	73.3	30.6	0	0	0	114	G247 C249 S521 V522 C523	N219-G247 WeakPolarHBondContact CB-O 3.25Å; N219-C249 PolarHBondContact O-N 2.82Å; N219-S521 PolarHBondContact N-O 3.05Å; N219-S521 VanDerWaalsContact N-O 3.1Å; N219-V522 VanDerWaalsContact OD1-CA 3.23Å; N219-V522 WeakPolarHBondContact OD1-CA 3.08Å; N219-V522 WeakPolarHBondContact OD1-CB 3.33Å; N219-C523 PolarHBondContact OD1-N 2.9Å
220	Y	93.8	Very high	92.8	Very high	31 Å²	31	23.1 Å²	23.1	12%	0.122	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	114.2	-178.7	-165.2	-123.3	0	0	0	109.7	C249 A251 N279 S521 C523	Y220-C249 WeakPolarHBondContact CA-O 3.45Å; Y220-C249 HydrophobicContact CD2-CB 4.15Å; Y220-A251 HydrophobicContact CD1-CB 4.12Å; Y220-A251 HydrophobicContact CD2-CB 4.06Å; Y220-A251 HydrophobicContact CE1-CB 3.6Å; Y220-A251 HydrophobicContact CE2-CB 3.53Å; Y220-A251 HydrophobicContact CG-CB 4.34Å; Y220-A251 WeakPolarHBondContact OH-CB 3.42Å; Y220-N279 HydrophobicContact CD1-CB 4.33Å; Y220-N279 HydrophobicContact CE1-CB 4.37Å; Y220-S521 PolarHBondContact N-O 3.32Å; Y220-S521 WeakPolarHBondContact O-CB 3.35Å; Y220-S521 PolarHBondContact O-OG 3.45Å; Y220-C523 HydrophobicContact CD1-CB 3.89Å; Y220-C523 HydrophobicContact CD2-CB 3.65Å; Y220-C523 HydrophobicContact CE1-CB 4.22Å; Y220-C523 HydrophobicContact CE2-CB 4.01Å; Y220-C523 HydrophobicContact CG-CB 3.58Å
221	V	95.9	Very high	92.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.1	-171.7	-55.2	0	0	0	0	111.7	V213 W218 F238 L248 C249 I250 A251 S280 A282	V213-V221 HydrophobicContact CG1-CG1 3.74Å; W218-V221 HydrophobicContact CB-CG1 4.44Å; V221-F238 HydrophobicContact CG2-CE1 4.05Å; V221-F238 HydrophobicContact CG2-CZ 4.18Å; V221-L248 HydrophobicContact CG1-CD1 3.91Å; V221-L248 HydrophobicContact CG2-CD1 3.93Å; V221-C249 PolarHBondContact N-O 2.82Å; V221-C249 VanDerWaalsContact N-O 3.07Å; V221-I250 HydrophobicContact CG2-CG1 4.3Å; V221-I250 CarbonylContact O-C 3.52Å; V221-I250 VanDerWaalsContact O-CA 3.26Å; V221-I250 WeakPolarHBondContact O-CA 3.44Å; V221-A251 PolarHBondContact O-N 3.41Å; V221-S280 WeakPolarHBondContact CA-OG 3.16Å; V221-A282 WeakPolarHBondContact CA-O 3.45Å; V221-A282 HydrophobicContact CB-CB 4.46Å; V221-A282 HydrophobicContact CG1-CB 3.95Å
222	S	96.9	Very high	92.4	Very high	1 Å²	1	24 Å²	24	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	147.8	171.7	-61.7	0	0	0	0	109.6	S280 A282 V283 V284	S222-S280 PolarHBondContact N-OG 3.04Å; S222-S280 WeakPolarHBondContact OG-CB 3.34Å; S222-S280 PolarHBondContact OG-OG 2.66Å; S222-A282 PolarHBondContact N-O 3.23Å; S222-V283 WeakPolarHBondContact O-CA 3.4Å; S222-V284 PolarHBondContact O-N 3.4Å
223	T	96.9	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.6	173.8	63	0	0	0	0	111.5	V235 F238 I250 Q252 S253 V254 V284	T223-V235 HydrophobicContact CG2-CG1 4.24Å; T223-V235 VanDerWaalsContact OG1-CG1 3.3Å; T223-V235 WeakPolarHBondContact OG1-CG1 3.31Å; T223-F238 HydrophobicContact CG2-CD1 3.83Å; T223-F238 HydrophobicContact CG2-CE1 3.89Å; T223-I250 HydrophobicContact CG2-CD1 3.89Å; T223-I250 HydrophobicContact CG2-CG1 4.19Å; T223-I250 HydrophobicContact CG2-CG2 4.18Å; T223-Q252 PolarHBondContact N-O 2.83Å; T223-S253 WeakPolarHBondContact O-CA 3.49Å; T223-S253 WeakPolarHBondContact OG1-CA 3.5Å; T223-S253 WeakPolarHBondContact OG1-CB 3.28Å; T223-S253 PolarHBondContact OG1-OG 3.42Å; T223-V254 PolarHBondContact O-N 2.71Å; T223-V284 CarbonylContact C-O 3.58Å; T223-V284 WeakPolarHBondContact CA-O 3.33Å; T223-V284 HydrophobicContact CG2-CB 4.31Å
224	L	96	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.9	-178.7	-177.1	66.7	0	0	0	110.2	V254 I256 I270 V283 V284 I285 F286 I295	L224-V254 WeakPolarHBondContact CA-O 3.29Å; L224-V254 HydrophobicContact CD1-CB 3.89Å; L224-V254 HydrophobicContact CD1-CG1 4.16Å; L224-I256 HydrophobicContact CD1-CD1 4.09Å; L224-I256 HydrophobicContact CD1-CG1 3.73Å; L224-I256 HydrophobicContact CD2-CD1 4.17Å; L224-I256 HydrophobicContact CG-CD1 3.99Å; L224-I256 HydrophobicContact CG-CG1 4.17Å; L224-I270 HydrophobicContact CD1-CG2 3.88Å; L224-V283 HydrophobicContact CB-CG1 4.17Å; L224-V284 PolarHBondContact N-O 2.91Å; L224-I285 HydrophobicContact CB-CG1 4.3Å; L224-I285 HydrophobicContact CD2-CD1 4.47Å; L224-I285 HydrophobicContact CD2-CG1 4.24Å; L224-I285 WeakPolarHBondContact O-CA 3.32Å; L224-F286 PolarHBondContact O-N 2.96Å; L224-I295 HydrophobicContact CD2-CD1 3.8Å; L224-I295 HydrophobicContact CD2-CG1 3.94Å; L224-I295 HydrophobicContact CD2-CG2 4.07Å
225	A	94.9	Very high	92.1	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.9	-176.9	0	0	0	0	0	112.2	G231 V235 V254 R255 I256 F286	A225-G231 WeakPolarHBondContact CB-O 3.49Å; A225-V235 HydrophobicContact CB-CB 4.39Å; A225-V235 HydrophobicContact CB-CG2 3.94Å; A225-V254 PolarHBondContact N-O 2.84Å; A225-R255 CarbonylContact O-C 3.57Å; A225-R255 WeakPolarHBondContact O-CA 3.25Å; A225-I256 PolarHBondContact O-N 3.21Å; A225-F286 WeakPolarHBondContact CA-O 3.47Å
226	S	90.5	Very high	92.2	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.4	157.2	-69.4	0	0	0	0	110.1	G228 G231 F286 A287 N288 D291	S226-G228 PolarHBondContact O-N 3.18Å; S226-G231 WeakPolarHBondContact O-CA 3.4Å; S226-F286 PolarHBondContact N-O 3.37Å; S226-A287 WeakPolarHBondContact OG-CA 3.4Å; S226-A287 VanDerWaalsContact OG-CB 3.28Å; S226-A287 WeakPolarHBondContact OG-CB 3.31Å; S226-N288 WeakPolarHBondContact CB-ND2 3.24Å; S226-N288 PolarHBondContact OG-N 3.06Å; S226-N288 VanDerWaalsContact OG-N 3.1Å; S226-N288 PolarHBondContact OG-ND2 3.37Å; S226-D291 PolarHBondContact OG-OD2 3.14Å
227	E	87	Confident	92.3	Very high	91 Å²	91	26.6 Å²	26.6	43%	0.425	15%	0.152	S	C	.	.	S	Bend	trans	-57.9	135.2	175.3	179.2	171	-154.7	0	0	111.9	I256 P257 Q258	E227-I256 WeakPolarHBondContact CB-O 3.06Å; E227-I256 PolarHBondContact N-O 3.45Å; E227-P257 WeakPolarHBondContact OE2-CA 3.48Å; E227-Q258 HydrophobicContact CB-CB 4.22Å; E227-Q258 HydrophobicContact CG-CB 4.33Å; E227-Q258 WeakPolarHBondContact OE2-CB 3.42Å; E227-Q258 PolarHBondContact OE2-N 3.48Å
228	G	84.4	Confident	92.5	Very high	31 Å²	31	24 Å²	24	32%	0.32	13%	0.125	S	C	.	.	S	Bend	trans	114.5	168.6	-176.8	0	0	0	0	0	114.5	S226 Y230 G231 E232	S226-G228 PolarHBondContact O-N 3.18Å; G228-Y230 PolarHBondContact O-N 3.49Å; G228-G231 PolarHBondContact O-N 2.93Å; G228-E232 PolarHBondContact O-N 3.4Å; G228-E232 VanDerWaalsContact O-N 3.15Å
229	S	85.6	Confident	92.5	Very high	31 Å²	31	25.1 Å²	25.1	22%	0.217	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-1.3	-167.4	-48.6	0	0	0	0	117.2	A183 K233	A183-S229 VanDerWaalsContact CB-O 3.23Å; A183-S229 WeakPolarHBondContact CB-O 3.39Å; S229-K233 WeakPolarHBondContact O-CB 3.39Å; S229-K233 WeakPolarHBondContact O-CG 3.04Å
230	Y	87.2	Confident	92.6	Very high	28 Å²	28	28 Å²	28	11%	0.11	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-67.1	168.4	169.2	-115.2	0	0	0	109.4	D202 G228 E232 K233 G234 S313 D314 S315	D202-Y230 WeakPolarHBondContact OD1-CE2 3.47Å; D202-Y230 WeakPolarHBondContact OD2-CD2 3.47Å; G228-Y230 PolarHBondContact O-N 3.49Å; Y230-E232 PolarHBondContact O-N 3.26Å; Y230-K233 PolarHBondContact O-N 2.84Å; Y230-G234 PolarHBondContact O-N 3.11Å; Y230-S313 WeakPolarHBondContact OH-CB 3.47Å; Y230-S313 PolarHBondContact OH-OG 3.18Å; Y230-D314 PolarHBondContact OH-OD1 3.2Å; Y230-S315 WeakPolarHBondContact OH-CB 3.29Å; Y230-S315 PolarHBondContact OH-N 3.2Å; Y230-S315 PolarHBondContact OH-OG 2.92Å; Y230-S315 VanDerWaalsContact OH-OG 3.05Å
231	G	90.2	Very high	92.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-48.1	-175.1	0	0	0	0	0	113.8	A225 S226 G228 K233 V235 F286	A225-G231 WeakPolarHBondContact CB-O 3.49Å; S226-G231 WeakPolarHBondContact O-CA 3.4Å; G228-G231 PolarHBondContact O-N 2.93Å; G231-K233 PolarHBondContact O-N 2.85Å; G231-V235 PolarHBondContact O-N 3.06Å; G231-V235 VanDerWaalsContact O-N 3.1Å; G231-F286 WeakPolarHBondContact CA-O 3.42Å
232	E	91.9	Very high	92.5	Very high	54 Å²	54	27.6 Å²	27.6	25%	0.252	15%	0.146	S	C	.	.	H	α-helix	trans	-66.9	-38.8	-178.1	-60.1	-155.6	162.2	0	0	112.6	G228 Y230 E236 R255	G228-E232 PolarHBondContact O-N 3.4Å; G228-E232 VanDerWaalsContact O-N 3.15Å; Y230-E232 PolarHBondContact O-N 3.26Å; E232-E236 VanDerWaalsContact O-CB 3.28Å; E232-E236 WeakPolarHBondContact O-CB 3.4Å; E232-E236 PolarHBondContact O-N 3.4Å; E232-R255 WeakPolarHBondContact OE1-CD 3.21Å; E232-R255 IonicContact OE1-CZ 2.79Å; E232-R255 IonicContact OE1-NE 2.96Å; E232-R255 IonicContact OE1-NH1 2.73Å; E232-R255 PolarHBondContact OE1-NH1 3.08Å; E232-R255 IonicContact OE2-CZ 2.79Å; E232-R255 IonicContact OE2-NH1 2.72Å; E232-R255 PolarHBondContact OE2-NH1 3.1Å
233	K	91.5	Very high	92.2	Very high	56 Å²	56	34.3 Å²	34.3	24%	0.243	18%	0.175	C	C	.	.	H	α-helix	trans	-80.7	-30	-177.1	-62.9	-72.4	159.8	-168.5	0	113	P184 E185 S229 Y230 G231 E236 S237	P184-K233 HydrophobicContact CG-CB 4.41Å; E185-K233 HydrophobicContact CG-CD 4.1Å; E185-K233 HydrophobicContact CG-CG 4.39Å; E185-K233 VanDerWaalsContact OE1-CE 3.22Å; E185-K233 WeakPolarHBondContact OE1-CE 3.46Å; S229-K233 WeakPolarHBondContact O-CB 3.39Å; S229-K233 WeakPolarHBondContact O-CG 3.04Å; Y230-K233 PolarHBondContact O-N 2.84Å; G231-K233 PolarHBondContact O-N 2.85Å; K233-E236 WeakPolarHBondContact CD-OE2 3.31Å; K233-E236 WeakPolarHBondContact CE-OE2 3.35Å; K233-E236 IonicContact NZ-OE2 2.66Å; K233-E236 PolarHBondContact NZ-OE2 2.87Å; K233-S237 WeakPolarHBondContact O-CB 3.22Å; K233-S237 PolarHBondContact O-N 3.35Å; K233-S237 PolarHBondContact O-OG 3.23Å
234	G	93.2	Very high	92	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-49.7	167.6	0	0	0	0	0	111.5	Y230 E236 S237 F238	Y230-G234 PolarHBondContact O-N 3.11Å; G234-E236 PolarHBondContact O-N 3.27Å; G234-S237 PolarHBondContact O-N 3.11Å; G234-F238 WeakPolarHBondContact O-CB 3.3Å; G234-F238 PolarHBondContact O-N 3.08Å
235	V	95.1	Very high	91.6	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-36.5	176	169.6	0	0	0	0	112.7	T223 A225 G231 T239 F286	T223-V235 HydrophobicContact CG2-CG1 4.24Å; T223-V235 VanDerWaalsContact OG1-CG1 3.3Å; T223-V235 WeakPolarHBondContact OG1-CG1 3.31Å; A225-V235 HydrophobicContact CB-CB 4.39Å; A225-V235 HydrophobicContact CB-CG2 3.94Å; G231-V235 PolarHBondContact O-N 3.06Å; G231-V235 VanDerWaalsContact O-N 3.1Å; V235-T239 WeakPolarHBondContact O-CB 3.35Å; V235-T239 PolarHBondContact O-N 2.88Å; V235-T239 PolarHBondContact O-OG1 3.09Å; V235-F286 HydrophobicContact CG2-CB 4.22Å; V235-F286 HydrophobicContact CG2-CD2 3.63Å; V235-F286 HydrophobicContact CG2-CE2 4.39Å; V235-F286 HydrophobicContact CG2-CG 4.28Å
236	E	94.7	Very high	91	Very high	107 Å²	107	44.4 Å²	44.4	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-43.4	173.4	-173.4	173.5	-162.7	0	0	111.5	E232 K233 G234 T239 Q240	E232-E236 VanDerWaalsContact O-CB 3.28Å; E232-E236 WeakPolarHBondContact O-CB 3.4Å; E232-E236 PolarHBondContact O-N 3.4Å; K233-E236 WeakPolarHBondContact CD-OE2 3.31Å; K233-E236 WeakPolarHBondContact CE-OE2 3.35Å; K233-E236 IonicContact NZ-OE2 2.66Å; K233-E236 PolarHBondContact NZ-OE2 2.87Å; G234-E236 PolarHBondContact O-N 3.27Å; E236-T239 WeakPolarHBondContact O-CB 3.47Å; E236-T239 PolarHBondContact O-N 2.94Å; E236-Q240 PolarHBondContact O-N 3.21Å
237	S	95.1	Very high	90.6	Very high	23 Å²	23	47.4 Å²	47.4	16%	0.161	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-48	175.9	-57.2	0	0	0	0	111.4	K233 G234 T239 Q240 I241	K233-S237 WeakPolarHBondContact O-CB 3.22Å; K233-S237 PolarHBondContact O-N 3.35Å; K233-S237 PolarHBondContact O-OG 3.23Å; G234-S237 PolarHBondContact O-N 3.11Å; S237-T239 VanDerWaalsContact C-N 3.28Å; S237-T239 PolarHBondContact O-N 2.71Å; S237-Q240 PolarHBondContact O-N 3.45Å; S237-Q240 VanDerWaalsContact O-N 3.16Å; S237-I241 VanDerWaalsContact O-CG1 3.31Å; S237-I241 WeakPolarHBondContact O-CG1 3.45Å; S237-I241 PolarHBondContact O-N 2.8Å
238	F	95.8	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-41.9	174.4	178.5	-89.2	0	0	0	111.6	A206 M209 V210 V221 T223 G234 Q240 S242 L248 I250 V284 F286	A206-F238 HydrophobicContact CB-CB 4.05Å; M209-F238 HydrophobicContact CB-CD2 3.86Å; M209-F238 HydrophobicContact CB-CE2 3.87Å; V210-F238 HydrophobicContact CB-CE2 4.38Å; V210-F238 HydrophobicContact CG2-CD2 3.53Å; V210-F238 HydrophobicContact CG2-CE2 3.47Å; V210-F238 VanDerWaalsContact CG2-CE2 3.47Å; V210-F238 HydrophobicContact CG2-CG 4.24Å; V210-F238 HydrophobicContact CG2-CZ 4.15Å; V221-F238 HydrophobicContact CG2-CE1 4.05Å; V221-F238 HydrophobicContact CG2-CZ 4.18Å; T223-F238 HydrophobicContact CG2-CD1 3.83Å; T223-F238 HydrophobicContact CG2-CE1 3.89Å; G234-F238 WeakPolarHBondContact O-CB 3.3Å; G234-F238 PolarHBondContact O-N 3.08Å; F238-Q240 PolarHBondContact O-N 2.86Å; F238-S242 WeakPolarHBondContact O-CB 3.46Å; F238-S242 PolarHBondContact O-N 2.88Å; F238-S242 PolarHBondContact O-OG 3.16Å; F238-L248 HydrophobicContact CZ-CD2 4.08Å; F238-I250 HydrophobicContact CD1-CD1 4.09Å; F238-I250 HydrophobicContact CE1-CD1 4.17Å; F238-I250 HydrophobicContact CE1-CG1 4.35Å; F238-V284 HydrophobicContact CD1-CG1 4.48Å; F238-V284 HydrophobicContact CD2-CG1 4.1Å; F238-V284 HydrophobicContact CE1-CG1 4.47Å; F238-V284 HydrophobicContact CE1-CG2 4.26Å; F238-V284 HydrophobicContact CE2-CG1 4.08Å; F238-V284 HydrophobicContact CE2-CG2 4.08Å; F238-V284 HydrophobicContact CG-CG1 4.32Å; F238-V284 HydrophobicContact CZ-CB 4.41Å; F238-V284 HydrophobicContact CZ-CG1 4.28Å; F238-V284 HydrophobicContact CZ-CG2 3.75Å; F238-F286 HydrophobicContact CB-CE2 4.14Å; F238-F286 HydrophobicContact CB-CZ 4.48Å
239	T	94.4	Very high	91.1	Very high	31 Å²	31	42.7 Å²	42.7	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-37	177.6	-62.6	0	0	0	0	112.4	V235 E236 S237 K243 I250	V235-T239 WeakPolarHBondContact O-CB 3.35Å; V235-T239 PolarHBondContact O-N 2.88Å; V235-T239 PolarHBondContact O-OG1 3.09Å; E236-T239 WeakPolarHBondContact O-CB 3.47Å; E236-T239 PolarHBondContact O-N 2.94Å; S237-T239 VanDerWaalsContact C-N 3.28Å; S237-T239 PolarHBondContact O-N 2.71Å; T239-K243 WeakPolarHBondContact O-CD 3Å; T239-K243 VanDerWaalsContact O-CG 3.29Å; T239-K243 WeakPolarHBondContact O-CG 3.38Å; T239-K243 PolarHBondContact O-N 3.04Å; T239-I250 HydrophobicContact CG2-CD1 3.99Å; T239-I250 WeakPolarHBondContact OG1-CD1 3.23Å
240	Q	93.9	Very high	91.4	Very high	91 Å²	91	43.4 Å²	43.4	43%	0.425	24%	0.24	S	C	.	.	H	α-helix	trans	-72.6	-50.9	178.1	-174.2	60.4	16.9	0	0	111.2	E236 S237 F238 S242 K243 E244	E236-Q240 PolarHBondContact O-N 3.21Å; S237-Q240 PolarHBondContact O-N 3.45Å; S237-Q240 VanDerWaalsContact O-N 3.16Å; F238-Q240 PolarHBondContact O-N 2.86Å; Q240-S242 VanDerWaalsContact C-N 3.29Å; Q240-S242 PolarHBondContact O-N 2.89Å; Q240-K243 WeakPolarHBondContact O-CB 3.31Å; Q240-K243 PolarHBondContact O-N 2.9Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.4Å; Q240-E244 PolarHBondContact NE2-OE1 3.11Å; Q240-E244 PolarHBondContact O-N 2.81Å
241	I	94.6	Very high	91.7	Very high	22 Å²	22	43.2 Å²	43.2	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-39.9	178.4	-63.2	165.3	0	0	0	110.8	A206 Q207 V210 S237 K243 E244 A245	A206-I241 HydrophobicContact CB-CD1 4Å; Q207-I241 HydrophobicContact CB-CD1 4.2Å; Q207-I241 VanDerWaalsContact OE1-CG2 3.23Å; V210-I241 HydrophobicContact CB-CG2 4.03Å; V210-I241 HydrophobicContact CG1-CG2 4.13Å; V210-I241 HydrophobicContact CG2-CB 4.19Å; V210-I241 HydrophobicContact CG2-CG2 3.86Å; S237-I241 VanDerWaalsContact O-CG1 3.31Å; S237-I241 WeakPolarHBondContact O-CG1 3.45Å; S237-I241 PolarHBondContact O-N 2.8Å; I241-K243 VanDerWaalsContact C-N 3.29Å; I241-K243 PolarHBondContact O-N 3.33Å; I241-E244 PolarHBondContact O-N 3.06Å; I241-A245 VanDerWaalsContact O-CB 3.24Å; I241-A245 WeakPolarHBondContact O-CB 3.22Å; I241-A245 PolarHBondContact O-N 2.94Å
242	S	93.2	Very high	91.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-37.5	175.4	-64.5	0	0	0	0	113.2	F238 Q240 G246 L248	F238-S242 WeakPolarHBondContact O-CB 3.46Å; F238-S242 PolarHBondContact O-N 2.88Å; F238-S242 PolarHBondContact O-OG 3.16Å; Q240-S242 VanDerWaalsContact C-N 3.29Å; Q240-S242 PolarHBondContact O-N 2.89Å; S242-G246 PolarHBondContact O-N 3.17Å; S242-L248 WeakPolarHBondContact OG-CD2 3.39Å
243	K	90.4	Very high	91.9	Very high	141 Å²	141	44.9 Å²	44.9	61%	0.613	26%	0.259	S	S	*	.	H	α-helix	trans	-73.9	-44.7	177.8	-67.9	163.4	-172.6	169.3	0	111.6	T239 Q240 I241 G246	T239-K243 WeakPolarHBondContact O-CD 3Å; T239-K243 VanDerWaalsContact O-CG 3.29Å; T239-K243 WeakPolarHBondContact O-CG 3.38Å; T239-K243 PolarHBondContact O-N 3.04Å; Q240-K243 WeakPolarHBondContact O-CB 3.31Å; Q240-K243 PolarHBondContact O-N 2.9Å; I241-K243 VanDerWaalsContact C-N 3.29Å; I241-K243 PolarHBondContact O-N 3.33Å; K243-G246 PolarHBondContact O-N 2.84Å
244	E	91.6	Very high	92.1	Very high	138 Å²	138	42.4 Å²	42.4	65%	0.645	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-44.3	-178.7	-70.7	174.9	-176.8	0	0	111.7	Q240 I241 G246	Q240-E244 WeakPolarHBondContact CG-OE1 3.4Å; Q240-E244 PolarHBondContact NE2-OE1 3.11Å; Q240-E244 PolarHBondContact O-N 2.81Å; I241-E244 PolarHBondContact O-N 3.06Å; E244-G246 VanDerWaalsContact C-N 3.27Å; E244-G246 PolarHBondContact O-N 2.88Å
245	A	87.3	Confident	92	Very high	47 Å²	47	49.6 Å²	49.6	39%	0.388	28%	0.276	S	S	.	.	H	α-helix	trans	-73.7	-18	177.6	0	0	0	0	0	113.2	V210 K214 I241	V210-A245 HydrophobicContact CG1-CB 4.41Å; K214-A245 PolarHBondContact NZ-O 2.87Å; I241-A245 VanDerWaalsContact O-CB 3.24Å; I241-A245 WeakPolarHBondContact O-CB 3.22Å; I241-A245 PolarHBondContact O-N 2.94Å
246	G	83.2	Confident	91.8	Very high	30 Å²	30	49.3 Å²	49.3	31%	0.309	27%	0.274	S	S	.	.			trans	66.6	167.8	177.6	0	0	0	0	0	115.6	K214 S242 K243 E244 L248	K214-G246 VanDerWaalsContact CE-O 3.24Å; K214-G246 WeakPolarHBondContact CE-O 3.43Å; K214-G246 PolarHBondContact NZ-O 3.43Å; S242-G246 PolarHBondContact O-N 3.17Å; K243-G246 PolarHBondContact O-N 2.84Å; E244-G246 VanDerWaalsContact C-N 3.27Å; E244-G246 PolarHBondContact O-N 2.88Å; G246-L248 PolarHBondContact O-N 3.39Å
247	G	82	Confident	91.2	Very high	64 Å²	64	46.2 Å²	46.2	66%	0.66	26%	0.263	S	S	*	.	S	Bend	trans	75.7	-1.1	175.3	0	0	0	0	0	116.2	N219	N219-G247 WeakPolarHBondContact CB-O 3.25Å
248	L	90.3	Very high	90.1	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.063	28%	0.277	C	S	.	.			trans	-122.8	127.9	-179.5	177.8	56.2	0	0	0	110.4	V210 V213 V221 F238 S242 G246	V210-L248 HydrophobicContact CG1-CD2 4.3Å; V213-L248 HydrophobicContact CB-CD2 4.43Å; V213-L248 HydrophobicContact CG1-CD1 3.66Å; V213-L248 HydrophobicContact CG1-CD2 3.74Å; V213-L248 HydrophobicContact CG1-CG 4.38Å; V221-L248 HydrophobicContact CG1-CD1 3.91Å; V221-L248 HydrophobicContact CG2-CD1 3.93Å; F238-L248 HydrophobicContact CZ-CD2 4.08Å; S242-L248 WeakPolarHBondContact OG-CD2 3.39Å; G246-L248 PolarHBondContact O-N 3.39Å
249	C	91.2	Very high	88.6	Confident	11 Å²	11	57.6 Å²	57.6	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.1	177.7	-70.9	0	0	0	0	111.2	N219 Y220 V221 T539 C541	N219-C249 PolarHBondContact O-N 2.82Å; Y220-C249 WeakPolarHBondContact CA-O 3.45Å; Y220-C249 HydrophobicContact CD2-CB 4.15Å; V221-C249 PolarHBondContact N-O 2.82Å; V221-C249 VanDerWaalsContact N-O 3.07Å; C249-T539 HydrophobicContact CB-CG2 4.19Å; C249-C541 HydrophobicContact CB-CB 3.67Å; C249-C541 WeakPolarHBondContact CB-SG 3.22Å; C249-C541 PolarHBondContact N-SG 3.29Å; C249-C541 WeakPolarHBondContact SG-CB 3.06Å; C249-C541 PolarHBondContact SG-N 3.41Å; C249-C541 CovalentContact SG-SG 2.04Å; C249-C541 PolarHBondContact SG-SG 3.19Å
250	I	93.4	Very high	87.3	Confident	46 Å²	46	58.8 Å²	58.8	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.6	171.3	-65.2	172.8	0	0	0	108.3	V221 T223 F238 T239 Q252	V221-I250 HydrophobicContact CG2-CG1 4.3Å; V221-I250 CarbonylContact O-C 3.52Å; V221-I250 VanDerWaalsContact O-CA 3.26Å; V221-I250 WeakPolarHBondContact O-CA 3.44Å; T223-I250 HydrophobicContact CG2-CD1 3.89Å; T223-I250 HydrophobicContact CG2-CG1 4.19Å; T223-I250 HydrophobicContact CG2-CG2 4.18Å; F238-I250 HydrophobicContact CD1-CD1 4.09Å; F238-I250 HydrophobicContact CE1-CD1 4.17Å; F238-I250 HydrophobicContact CE1-CG1 4.35Å; T239-I250 HydrophobicContact CG2-CD1 3.99Å; T239-I250 WeakPolarHBondContact OG1-CD1 3.23Å; I250-Q252 VanDerWaalsContact CG2-O 3.27Å; I250-Q252 WeakPolarHBondContact CG2-O 3.44Å
251	A	92.1	Very high	85.5	Confident	24 Å²	24	65 Å²	65	20%	0.198	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-47.3	178.4	0	0	0	0	0	111.4	Y220 V221 T277 S280	Y220-A251 HydrophobicContact CD1-CB 4.12Å; Y220-A251 HydrophobicContact CD2-CB 4.06Å; Y220-A251 HydrophobicContact CE1-CB 3.6Å; Y220-A251 HydrophobicContact CE2-CB 3.53Å; Y220-A251 HydrophobicContact CG-CB 4.34Å; Y220-A251 WeakPolarHBondContact OH-CB 3.42Å; V221-A251 PolarHBondContact O-N 3.41Å; A251-T277 HydrophobicContact CB-CG2 4.23Å; A251-S280 VanDerWaalsContact CB-CB 3.47Å; A251-S280 WeakPolarHBondContact CB-OG 3.47Å
252	Q	92.9	Very high	84	Confident	29 Å²	29	67.2 Å²	67.2	14%	0.136	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	159.7	174.6	57.1	174.6	-56.1	0	0	110.5	T223 I250 V254 Q273 T277	T223-Q252 PolarHBondContact N-O 2.83Å; I250-Q252 VanDerWaalsContact CG2-O 3.27Å; I250-Q252 WeakPolarHBondContact CG2-O 3.44Å; Q252-V254 HydrophobicContact CG-CG2 4.24Å; Q252-V254 VanDerWaalsContact OE1-CG2 3.27Å; Q252-Q273 PolarHBondContact NE2-O 3.03Å; Q252-Q273 VanDerWaalsContact OE1-NE2 3.15Å; Q252-Q273 PolarHBondContact OE1-O 3.25Å; Q252-T277 PolarHBondContact NE2-OG1 3.44Å
253	S	94.5	Very high	82.7	Confident	62 Å²	62	74.3 Å²	74.3	43%	0.434	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.1	173.8	-168.9	0	0	0	0	109.2	T223	T223-S253 WeakPolarHBondContact O-CA 3.49Å; T223-S253 WeakPolarHBondContact OG1-CA 3.5Å; T223-S253 WeakPolarHBondContact OG1-CB 3.28Å; T223-S253 PolarHBondContact OG1-OG 3.42Å
254	V	94.7	Very high	81.7	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.024	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.9	-174.1	-167	0	0	0	0	109.5	T223 L224 A225 Q252 I270 L274	T223-V254 PolarHBondContact O-N 2.71Å; L224-V254 WeakPolarHBondContact CA-O 3.29Å; L224-V254 HydrophobicContact CD1-CB 3.89Å; L224-V254 HydrophobicContact CD1-CG1 4.16Å; A225-V254 PolarHBondContact N-O 2.84Å; Q252-V254 HydrophobicContact CG-CG2 4.24Å; Q252-V254 VanDerWaalsContact OE1-CG2 3.27Å; V254-I270 HydrophobicContact CG1-CB 4.48Å; V254-I270 HydrophobicContact CG1-CG1 4.08Å; V254-I270 HydrophobicContact CG1-CG2 3.99Å; V254-L274 HydrophobicContact CG2-CD2 3.85Å; V254-L274 HydrophobicContact CG2-CG 4.4Å
255	R	91.9	Very high	80.6	Confident	150 Å²	150	69 Å²	69	57%	0.566	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	138	-179.8	-59.8	-178.1	-174.7	-155.7	2.5	110.1	A225 E232 P257	A225-R255 CarbonylContact O-C 3.57Å; A225-R255 WeakPolarHBondContact O-CA 3.25Å; E232-R255 WeakPolarHBondContact OE1-CD 3.21Å; E232-R255 IonicContact OE1-CZ 2.79Å; E232-R255 IonicContact OE1-NE 2.96Å; E232-R255 IonicContact OE1-NH1 2.73Å; E232-R255 PolarHBondContact OE1-NH1 3.08Å; E232-R255 IonicContact OE2-CZ 2.79Å; E232-R255 IonicContact OE2-NH1 2.72Å; E232-R255 PolarHBondContact OE2-NH1 3.1Å; R255-P257 WeakPolarHBondContact O-CD 3.41Å
256	I	89.7	Confident	80.3	Confident	2 Å²	2	68 Å²	68	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.6	175.7	-51	173.5	0	0	0	107.8	L224 A225 E227 F267 I270 A287 D291 I295	L224-I256 HydrophobicContact CD1-CD1 4.09Å; L224-I256 HydrophobicContact CD1-CG1 3.73Å; L224-I256 HydrophobicContact CD2-CD1 4.17Å; L224-I256 HydrophobicContact CG-CD1 3.99Å; L224-I256 HydrophobicContact CG-CG1 4.17Å; A225-I256 PolarHBondContact O-N 3.21Å; E227-I256 WeakPolarHBondContact CB-O 3.06Å; E227-I256 PolarHBondContact N-O 3.45Å; I256-F267 HydrophobicContact CD1-CE1 4.48Å; I256-F267 HydrophobicContact CG2-CD1 4.45Å; I256-F267 HydrophobicContact CG2-CE1 3.59Å; I256-F267 HydrophobicContact CG2-CZ 4.13Å; I256-I270 HydrophobicContact CB-CD1 4.42Å; I256-I270 HydrophobicContact CG1-CD1 4.13Å; I256-I270 HydrophobicContact CG2-CD1 4.42Å; I256-A287 HydrophobicContact CD1-CB 4.03Å; I256-D291 HydrophobicContact CD1-CB 4.01Å; I256-I295 HydrophobicContact CD1-CD1 4.32Å; I256-I295 HydrophobicContact CD1-CG1 4.05Å
257	P	83.8	Confident	80.5	Confident	42 Å²	42	66.7 Å²	66.7	27%	0.273	34%	0.337	S	S	.	.			trans	-65.5	142.1	-178.2	-22.1	34.1	0	0	0	113.3	E227 R255 R260	E227-P257 WeakPolarHBondContact OE2-CA 3.48Å; R255-P257 WeakPolarHBondContact O-CD 3.41Å; P257-R260 HydrophobicContact CB-CG 4.49Å; P257-R260 WeakPolarHBondContact O-CD 3.32Å; P257-R260 WeakPolarHBondContact O-CG 3.41Å; P257-R260 PolarHBondContact O-NE 2.95Å
258	Q	70.2	Confident	81	Confident	95 Å²	95	65.6 Å²	65.6	44%	0.444	32%	0.316	S	S	.	.	S	Bend	trans	-77.5	-35.4	-178.8	-153.4	-168.8	44	0	0	112.4	E227	E227-Q258 HydrophobicContact CB-CB 4.22Å; E227-Q258 HydrophobicContact CG-CB 4.33Å; E227-Q258 WeakPolarHBondContact OE2-CB 3.42Å; E227-Q258 PolarHBondContact OE2-N 3.48Å
259	E	65.8	Low	81	Confident	166 Å²	166	72 Å²	72	78%	0.776	34%	0.339	S	S	*	.	S	Bend	trans	-104.8	120.5	174.5	-61.7	-160.6	159.2	0	0	110.6
260	R	65.8	Low	81.1	Confident	57 Å²	57	71.9 Å²	71.9	22%	0.215	34%	0.338	C	S	.	.			trans	-129.1	131	-170.6	-70.3	174.2	-79.3	-142.7	-0.7	110.3	P257 R263 D291	P257-R260 HydrophobicContact CB-CG 4.49Å; P257-R260 WeakPolarHBondContact O-CD 3.32Å; P257-R260 WeakPolarHBondContact O-CG 3.41Å; P257-R260 PolarHBondContact O-NE 2.95Å; R260-R263 HydrophobicContact CB-CG 4.43Å; R260-D291 IonicContact CZ-OD1 2.67Å; R260-D291 VanDerWaalsContact CZ-OD1 3.27Å; R260-D291 IonicContact NH1-OD1 2.97Å; R260-D291 PolarHBondContact NH1-OD1 2.91Å; R260-D291 IonicContact NH2-OD1 3.76Å; R260-D291 PolarHBondContact NH2-OD1 2.79Å
261	K	57.3	Low	81.2	Confident	222 Å²	222	69.8 Å²	69.8	97%	0.965	33%	0.327	S	S	*	.	S	Bend	trans	-80.8	-40.2	177.8	-70.5	-175.8	178.8	179.4	0	112.1
262	D	62.7	Low	81.2	Confident	68 Å²	68	75.2 Å²	75.2	36%	0.364	35%	0.346	S	S	.	.	S	Bend	trans	-130.8	112.4	167.9	-174.6	-34.6	0	0	0	107.2	T264 I265	D262-T264 PolarHBondContact O-N 2.8Å; D262-T264 WeakPolarHBondContact OD1-CA 3.31Å; D262-T264 WeakPolarHBondContact OD1-CB 3.31Å; D262-T264 PolarHBondContact OD1-N 2.89Å; D262-T264 PolarHBondContact OD1-OG1 2.73Å; D262-I265 HydrophobicContact CB-CB 4.42Å; D262-I265 HydrophobicContact CB-CD1 4.19Å; D262-I265 HydrophobicContact CB-CG1 4.34Å; D262-I265 PolarHBondContact OD1-N 2.97Å; D262-I265 WeakPolarHBondContact OD2-CD1 3.43Å
263	R	65.8	Low	81.3	Confident	151 Å²	151	77.4 Å²	77.4	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-58.1	-33.6	179.8	-78	179.2	166.3	-168.7	-9.4	111.7	R260 F267	R260-R263 HydrophobicContact CB-CG 4.43Å; R263-F267 WeakPolarHBondContact O-CD2 3.37Å
264	T	68.9	Low	81.3	Confident	59 Å²	59	74.5 Å²	74.5	36%	0.362	34%	0.336	S	S	.	.	H	α-helix	trans	-79.1	-41.6	-169.5	66.5	0	0	0	0	113.5	D262 D268 R301	D262-T264 PolarHBondContact O-N 2.8Å; D262-T264 WeakPolarHBondContact OD1-CA 3.31Å; D262-T264 WeakPolarHBondContact OD1-CB 3.31Å; D262-T264 PolarHBondContact OD1-N 2.89Å; D262-T264 PolarHBondContact OD1-OG1 2.73Å; T264-D268 PolarHBondContact O-N 3.14Å; T264-R301 PolarHBondContact O-NH2 2.81Å
265	I	70	Confident	81.3	Confident	107 Å²	107	76.8 Å²	76.8	55%	0.549	35%	0.348	S	S	.	.	H	α-helix	trans	-72.4	-36.2	-175.2	-61.9	175	0	0	0	111.2	D262 F267 D268 R269	D262-I265 HydrophobicContact CB-CB 4.42Å; D262-I265 HydrophobicContact CB-CD1 4.19Å; D262-I265 HydrophobicContact CB-CG1 4.34Å; D262-I265 PolarHBondContact OD1-N 2.97Å; D262-I265 WeakPolarHBondContact OD2-CD1 3.43Å; I265-F267 PolarHBondContact O-N 3.15Å; I265-D268 PolarHBondContact O-N 3.24Å; I265-R269 PolarHBondContact O-N 3.24Å; I265-R269 VanDerWaalsContact O-N 3.11Å
266	D	79.9	Confident	81.4	Confident	28 Å²	28	75.6 Å²	75.6	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-38.9	-178.9	-83.5	-41.1	0	0	0	112.7	R269 I270	D266-R269 PolarHBondContact O-N 3.34Å; D266-R269 IonicContact OD1-CZ 2.65Å; D266-R269 IonicContact OD1-NE 3.94Å; D266-R269 IonicContact OD1-NH2 2.69Å; D266-R269 PolarHBondContact OD1-NH2 3.23Å; D266-I270 WeakPolarHBondContact O-CG1 3.42Å; D266-I270 PolarHBondContact O-N 3.46Å; D266-I270 VanDerWaalsContact O-N 3.16Å
267	F	88.4	Confident	81.5	Confident	1 Å²	1	76.7 Å²	76.7	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-72.6	-37.8	176.5	-68	-66.3	0	0	0	113.2	I256 R263 I265 R269 I270 I271 Q294 I295 A298	I256-F267 HydrophobicContact CD1-CE1 4.48Å; I256-F267 HydrophobicContact CG2-CD1 4.45Å; I256-F267 HydrophobicContact CG2-CE1 3.59Å; I256-F267 HydrophobicContact CG2-CZ 4.13Å; R263-F267 WeakPolarHBondContact O-CD2 3.37Å; I265-F267 PolarHBondContact O-N 3.15Å; F267-R269 PolarHBondContact O-N 3.1Å; F267-I270 HydrophobicContact CD1-CD1 4.33Å; F267-I270 WeakPolarHBondContact O-CB 3.33Å; F267-I270 PolarHBondContact O-N 2.97Å; F267-I271 PolarHBondContact O-N 3.41Å; F267-Q294 HydrophobicContact CD1-CB 4.32Å; F267-Q294 HydrophobicContact CD2-CB 3.5Å; F267-Q294 HydrophobicContact CD2-CG 4.29Å; F267-Q294 HydrophobicContact CE1-CB 3.99Å; F267-Q294 HydrophobicContact CE2-CB 3.16Å; F267-Q294 HydrophobicContact CE2-CG 3.64Å; F267-Q294 HydrophobicContact CG-CB 4.09Å; F267-Q294 HydrophobicContact CZ-CB 3.39Å; F267-Q294 HydrophobicContact CZ-CG 4.01Å; F267-I295 HydrophobicContact CD1-CD1 3.57Å; F267-I295 HydrophobicContact CD1-CG1 3.85Å; F267-I295 HydrophobicContact CE1-CD1 4.08Å; F267-I295 HydrophobicContact CE1-CG1 3.93Å; F267-A298 HydrophobicContact CB-CB 3.7Å
268	D	90.8	Very high	81.8	Confident	41 Å²	41	78.1 Å²	78.1	22%	0.219	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-30.3	175.8	-69.4	-21.1	0	0	0	111.7	T264 I265 K272 A298 R301	T264-D268 PolarHBondContact O-N 3.14Å; I265-D268 PolarHBondContact O-N 3.24Å; D268-K272 WeakPolarHBondContact O-CD 3.49Å; D268-K272 VanDerWaalsContact O-CG 3.27Å; D268-K272 WeakPolarHBondContact O-CG 3.27Å; D268-K272 PolarHBondContact O-N 2.87Å; D268-K272 VanDerWaalsContact O-N 3.14Å; D268-A298 WeakPolarHBondContact OD1-CB 3.35Å; D268-R301 IonicContact OD1-CZ 3.8Å; D268-R301 VanDerWaalsContact OD1-CZ 3.31Å; D268-R301 IonicContact OD1-NE 2.66Å; D268-R301 PolarHBondContact OD1-NE 2.78Å; D268-R301 VanDerWaalsContact OD1-NE 3.13Å; D268-R301 IonicContact OD1-NH2 3.2Å; D268-R301 PolarHBondContact OD1-NH2 3.45Å; D268-R301 IonicContact OD2-CZ 3.54Å; D268-R301 IonicContact OD2-NE 3.14Å; D268-R301 IonicContact OD2-NH2 3.35Å; D268-R301 PolarHBondContact OD2-NH2 2.9Å
269	R	91.4	Very high	82.8	Confident	147 Å²	147	77.9 Å²	77.9	56%	0.555	37%	0.37	S	S	*	.	H	α-helix	trans	-66.8	-42.3	169.6	175.6	172.9	59.7	146.7	-4	111.9	I265 D266 F267 K272 Q273	I265-R269 PolarHBondContact O-N 3.24Å; I265-R269 VanDerWaalsContact O-N 3.11Å; D266-R269 PolarHBondContact O-N 3.34Å; D266-R269 IonicContact OD1-CZ 2.65Å; D266-R269 IonicContact OD1-NE 3.94Å; D266-R269 IonicContact OD1-NH2 2.69Å; D266-R269 PolarHBondContact OD1-NH2 3.23Å; F267-R269 PolarHBondContact O-N 3.1Å; R269-K272 PolarHBondContact O-N 3.11Å; R269-Q273 WeakPolarHBondContact O-CB 3.45Å; R269-Q273 PolarHBondContact O-N 3.29Å
270	I	93.2	Very high	84.1	Confident	9 Å²	9	70 Å²	70	5%	0.046	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-43.5	177.3	-72.7	167.2	0	0	0	111.3	L224 V254 I256 D266 F267 Q273 L274 I295	L224-I270 HydrophobicContact CD1-CG2 3.88Å; V254-I270 HydrophobicContact CG1-CB 4.48Å; V254-I270 HydrophobicContact CG1-CG1 4.08Å; V254-I270 HydrophobicContact CG1-CG2 3.99Å; I256-I270 HydrophobicContact CB-CD1 4.42Å; I256-I270 HydrophobicContact CG1-CD1 4.13Å; I256-I270 HydrophobicContact CG2-CD1 4.42Å; D266-I270 WeakPolarHBondContact O-CG1 3.42Å; D266-I270 PolarHBondContact O-N 3.46Å; D266-I270 VanDerWaalsContact O-N 3.16Å; F267-I270 HydrophobicContact CD1-CD1 4.33Å; F267-I270 WeakPolarHBondContact O-CB 3.33Å; F267-I270 PolarHBondContact O-N 2.97Å; I270-Q273 PolarHBondContact O-N 3.07Å; I270-L274 HydrophobicContact CG2-CD1 4.32Å; I270-L274 WeakPolarHBondContact O-CG 3.44Å; I270-L274 PolarHBondContact O-N 3.01Å; I270-I295 HydrophobicContact CB-CD1 4.4Å; I270-I295 HydrophobicContact CG2-CD1 3.66Å
271	I	94.7	Very high	85.5	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-43.3	176	-62.3	-60.4	0	0	0	111.4	F267 Q273 L274 L275 I295 A298 A299 A302 F308	F267-I271 PolarHBondContact O-N 3.41Å; I271-Q273 VanDerWaalsContact C-N 3.31Å; I271-Q273 PolarHBondContact O-N 3.02Å; I271-L274 HydrophobicContact CD1-CD1 4.41Å; I271-L274 PolarHBondContact O-N 3.37Å; I271-L275 HydrophobicContact CG2-CD1 4.24Å; I271-L275 WeakPolarHBondContact O-CG 3.31Å; I271-L275 PolarHBondContact O-N 2.84Å; I271-I295 HydrophobicContact CD1-CG2 4.33Å; I271-A298 HydrophobicContact CG1-CB 3.61Å; I271-A299 HydrophobicContact CD1-CB 4.06Å; I271-A302 HydrophobicContact CG2-CB 3.7Å; I271-F308 HydrophobicContact CG2-CE2 4.25Å
272	K	93.8	Very high	87.3	Confident	139 Å²	139	59.5 Å²	59.5	60%	0.604	29%	0.288	S	S	*	.	H	α-helix	trans	-59	-42.8	174.1	-74.2	166.9	-174.3	171.3	0	112	D268 R269 L274 L275 D276	D268-K272 WeakPolarHBondContact O-CD 3.49Å; D268-K272 VanDerWaalsContact O-CG 3.27Å; D268-K272 WeakPolarHBondContact O-CG 3.27Å; D268-K272 PolarHBondContact O-N 2.87Å; D268-K272 VanDerWaalsContact O-N 3.14Å; R269-K272 PolarHBondContact O-N 3.11Å; K272-L274 PolarHBondContact O-N 3.18Å; K272-L275 WeakPolarHBondContact O-CB 3.29Å; K272-L275 PolarHBondContact O-N 3.33Å; K272-L275 VanDerWaalsContact O-N 3.17Å; K272-D276 PolarHBondContact O-N 2.88Å
273	Q	94.4	Very high	89	Confident	75 Å²	75	56.3 Å²	56.3	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-41.8	177	-162.6	-169.9	-43.3	0	0	111.7	Q252 R269 I270 I271 L275 D276	Q252-Q273 PolarHBondContact NE2-O 3.03Å; Q252-Q273 VanDerWaalsContact OE1-NE2 3.15Å; Q252-Q273 PolarHBondContact OE1-O 3.25Å; R269-Q273 WeakPolarHBondContact O-CB 3.45Å; R269-Q273 PolarHBondContact O-N 3.29Å; I270-Q273 PolarHBondContact O-N 3.07Å; I271-Q273 VanDerWaalsContact C-N 3.31Å; I271-Q273 PolarHBondContact O-N 3.02Å; Q273-L275 VanDerWaalsContact C-N 3.26Å; Q273-L275 PolarHBondContact O-N 3.41Å; Q273-D276 WeakPolarHBondContact O-CB 3.38Å; Q273-D276 PolarHBondContact O-N 3.49Å; Q273-D276 VanDerWaalsContact O-N 3.13Å
274	L	94.7	Very high	90.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-34.7	174.5	-71.6	171.1	0	0	0	112.4	V254 I270 I271 K272 D276 T277 F308	V254-L274 HydrophobicContact CG2-CD2 3.85Å; V254-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 HydrophobicContact CG2-CD1 4.32Å; I270-L274 WeakPolarHBondContact O-CG 3.44Å; I270-L274 PolarHBondContact O-N 3.01Å; I271-L274 HydrophobicContact CD1-CD1 4.41Å; I271-L274 PolarHBondContact O-N 3.37Å; K272-L274 PolarHBondContact O-N 3.18Å; L274-D276 VanDerWaalsContact C-N 3.29Å; L274-D276 PolarHBondContact O-N 3.41Å; L274-T277 PolarHBondContact O-N 3.05Å; L274-T277 PolarHBondContact O-OG1 3.23Å; L274-F308 HydrophobicContact CB-CE1 3.92Å; L274-F308 HydrophobicContact CB-CZ 3.93Å
275	L	94.7	Very high	91.8	Very high	52 Å²	52	46.3 Å²	46.3	27%	0.272	23%	0.227	S	C	.	.	H	α-helix	trans	-72.2	-13.7	176	-67.4	170.5	0	0	0	114.4	I271 K272 Q273 T277 P278 Q304 F308	I271-L275 HydrophobicContact CG2-CD1 4.24Å; I271-L275 WeakPolarHBondContact O-CG 3.31Å; I271-L275 PolarHBondContact O-N 2.84Å; K272-L275 WeakPolarHBondContact O-CB 3.29Å; K272-L275 PolarHBondContact O-N 3.33Å; K272-L275 VanDerWaalsContact O-N 3.17Å; Q273-L275 VanDerWaalsContact C-N 3.26Å; Q273-L275 PolarHBondContact O-N 3.41Å; L275-T277 PolarHBondContact O-N 3.29Å; L275-P278 WeakPolarHBondContact O-CD 3.41Å; L275-Q304 HydrophobicContact CD1-CG 4.06Å; L275-Q304 HydrophobicContact CD2-CG 4.14Å; L275-F308 HydrophobicContact CD2-CE1 4.42Å; L275-F308 HydrophobicContact CD2-CE2 4.38Å; L275-F308 HydrophobicContact CD2-CZ 3.74Å; L275-F308 HydrophobicContact CG-CZ 4.03Å
276	D	94	Very high	93	Very high	126 Å²	126	41.2 Å²	41.2	67%	0.674	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.1	170.8	-67	-38.4	0	0	0	111.9	K272 Q273 L274 P278	K272-D276 PolarHBondContact O-N 2.88Å; Q273-D276 WeakPolarHBondContact O-CB 3.38Å; Q273-D276 PolarHBondContact O-N 3.49Å; Q273-D276 VanDerWaalsContact O-N 3.13Å; L274-D276 VanDerWaalsContact C-N 3.29Å; L274-D276 PolarHBondContact O-N 3.41Å; D276-P278 WeakPolarHBondContact O-CD 3.24Å
277	T	91.3	Very high	93.5	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.153	19%	0.193	C	C	.	.	S	Bend	trans	-120.3	67.6	176.3	55.5	0	0	0	0	111.8	A251 Q252 L274 L275 N279 S280	A251-T277 HydrophobicContact CB-CG2 4.23Å; Q252-T277 PolarHBondContact NE2-OG1 3.44Å; L274-T277 PolarHBondContact O-N 3.05Å; L274-T277 PolarHBondContact O-OG1 3.23Å; L275-T277 PolarHBondContact O-N 3.29Å; T277-N279 PolarHBondContact O-N 3.13Å; T277-N279 VanDerWaalsContact O-N 3.1Å; T277-S280 WeakPolarHBondContact O-CA 3.36Å; T277-S280 VanDerWaalsContact O-CB 3.28Å; T277-S280 WeakPolarHBondContact O-CB 3.34Å; T277-S280 PolarHBondContact O-N 2.89Å
278	P	89.7	Confident	93.4	Very high	72 Å²	72	43.1 Å²	43.1	47%	0.468	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.2	-167.5	29.5	-38.1	0	0	0	114.9	L275 D276 S280	L275-P278 WeakPolarHBondContact O-CD 3.41Å; D276-P278 WeakPolarHBondContact O-CD 3.24Å; P278-S280 VanDerWaalsContact C-N 3.31Å
279	N	90.7	Very high	92.9	Very high	89 Å²	89	43 Å²	43	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.5	171.5	-68	2.6	0	0	0	112.6	Y220 T277 R281 C523	Y220-N279 HydrophobicContact CD1-CB 4.33Å; Y220-N279 HydrophobicContact CE1-CB 4.37Å; T277-N279 PolarHBondContact O-N 3.13Å; T277-N279 VanDerWaalsContact O-N 3.1Å; N279-R281 VanDerWaalsContact C-N 3.34Å; N279-R281 PolarHBondContact O-N 2.94Å; N279-C523 PolarHBondContact ND2-O 3.32Å
280	S	93.9	Very high	92.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.			trans	-91.5	67.3	179	-165.2	0	0	0	0	110.1	V221 S222 A251 T277 P278	V221-S280 WeakPolarHBondContact CA-OG 3.16Å; S222-S280 PolarHBondContact N-OG 3.04Å; S222-S280 WeakPolarHBondContact OG-CB 3.34Å; S222-S280 PolarHBondContact OG-OG 2.66Å; A251-S280 VanDerWaalsContact CB-CB 3.47Å; A251-S280 WeakPolarHBondContact CB-OG 3.47Å; T277-S280 WeakPolarHBondContact O-CA 3.36Å; T277-S280 VanDerWaalsContact O-CB 3.28Å; T277-S280 WeakPolarHBondContact O-CB 3.34Å; T277-S280 PolarHBondContact O-N 2.89Å; P278-S280 VanDerWaalsContact C-N 3.31Å
281	R	94.8	Very high	92.1	Very high	60 Å²	60	40.6 Å²	40.6	23%	0.226	21%	0.205	C	C	.	.			trans	-71.4	-35.2	-175.5	-65.8	-175.4	63.7	-165.9	-1.8	112.5	N279 G306 H307 F308 L309 S521	N279-R281 VanDerWaalsContact C-N 3.34Å; N279-R281 PolarHBondContact O-N 2.94Å; R281-G306 PolarHBondContact NH2-O 3.19Å; R281-H307 PolarHBondContact NE-O 3.38Å; R281-H307 PolarHBondContact NH2-O 3.42Å; R281-H307 VanDerWaalsContact NH2-O 3.13Å; R281-F308 CarbonylContact O-C 3.5Å; R281-F308 VanDerWaalsContact O-CA 3.32Å; R281-F308 WeakPolarHBondContact O-CA 3.43Å; R281-L309 HydrophobicContact CB-CD1 3.92Å; R281-L309 HydrophobicContact CB-CG 4.18Å; R281-L309 PolarHBondContact O-N 3.17Å; R281-S521 PolarHBondContact N-OG 3.05Å
282	A	96.5	Very high	92	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125	179.1	0	0	0	0	0	111.4	W218 V221 S222 L309 S521	W218-A282 HydrophobicContact CD2-CB 3.87Å; W218-A282 HydrophobicContact CE3-CB 3.39Å; W218-A282 HydrophobicContact CH2-CB 4.21Å; W218-A282 HydrophobicContact CZ3-CB 3.58Å; V221-A282 WeakPolarHBondContact CA-O 3.45Å; V221-A282 HydrophobicContact CB-CB 4.46Å; V221-A282 HydrophobicContact CG1-CB 3.95Å; S222-A282 PolarHBondContact N-O 3.23Å; A282-L309 VanDerWaalsContact CA-O 3.31Å; A282-L309 WeakPolarHBondContact CA-O 3.39Å; A282-L309 HydrophobicContact CB-CB 4.42Å; A282-S521 PolarHBondContact N-OG 2.72Å
283	V	97.6	Very high	91.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.8	-177.4	-171.7	0	0	0	0	109.8	S222 L224 I285 F308 L309 W310 V311	S222-V283 WeakPolarHBondContact O-CA 3.4Å; L224-V283 HydrophobicContact CB-CG1 4.17Å; V283-I285 HydrophobicContact CG1-CG1 4.15Å; V283-F308 HydrophobicContact CG2-CB 4.34Å; V283-F308 HydrophobicContact CG2-CD1 3.65Å; V283-F308 HydrophobicContact CG2-CE1 4.35Å; V283-F308 HydrophobicContact CG2-CG 4.28Å; V283-L309 PolarHBondContact N-O 3.18Å; V283-W310 HydrophobicContact CB-CE3 3.81Å; V283-W310 HydrophobicContact CB-CZ3 3.94Å; V283-W310 HydrophobicContact CG1-CE3 4.2Å; V283-W310 HydrophobicContact CG1-CZ3 4.03Å; V283-W310 HydrophobicContact CG2-CE3 4.35Å; V283-W310 HydrophobicContact CG2-CZ3 4.16Å; V283-V311 PolarHBondContact O-N 2.75Å
284	V	97.7	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.6	178.4	176	0	0	0	0	109.1	M209 V213 S222 T223 L224 F238 F286 V311	M209-V284 HydrophobicContact CE-CG1 3.88Å; M209-V284 HydrophobicContact SD-CG1 3.92Å; V213-V284 HydrophobicContact CG2-CG2 4.29Å; S222-V284 PolarHBondContact O-N 3.4Å; T223-V284 CarbonylContact C-O 3.58Å; T223-V284 WeakPolarHBondContact CA-O 3.33Å; T223-V284 HydrophobicContact CG2-CB 4.31Å; L224-V284 PolarHBondContact N-O 2.91Å; F238-V284 HydrophobicContact CD1-CG1 4.48Å; F238-V284 HydrophobicContact CD2-CG1 4.1Å; F238-V284 HydrophobicContact CE1-CG1 4.47Å; F238-V284 HydrophobicContact CE1-CG2 4.26Å; F238-V284 HydrophobicContact CE2-CG1 4.08Å; F238-V284 HydrophobicContact CE2-CG2 4.08Å; F238-V284 HydrophobicContact CG-CG1 4.32Å; F238-V284 HydrophobicContact CZ-CB 4.41Å; F238-V284 HydrophobicContact CZ-CG1 4.28Å; F238-V284 HydrophobicContact CZ-CG2 3.75Å; V284-F286 HydrophobicContact CG1-CD2 4.25Å; V284-F286 HydrophobicContact CG1-CE2 3.87Å; V284-V311 WeakPolarHBondContact CA-O 3.38Å; V284-V311 HydrophobicContact CG2-CB 4.29Å
285	I	96.1	Very high	91.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.5	-171.6	-55.2	174.5	0	0	0	111.2	L224 V283 A287 I292 W310 V311 S313 W316	L224-I285 HydrophobicContact CB-CG1 4.3Å; L224-I285 HydrophobicContact CD2-CD1 4.47Å; L224-I285 HydrophobicContact CD2-CG1 4.24Å; L224-I285 WeakPolarHBondContact O-CA 3.32Å; V283-I285 HydrophobicContact CG1-CG1 4.15Å; I285-A287 HydrophobicContact CG2-CB 3.45Å; I285-A287 VanDerWaalsContact CG2-CB 3.45Å; I285-I292 HydrophobicContact CG2-CG1 4.15Å; I285-W310 HydrophobicContact CD1-CD2 4.29Å; I285-W310 HydrophobicContact CD1-CE3 3.46Å; I285-W310 VanDerWaalsContact CD1-CE3 3.46Å; I285-W310 HydrophobicContact CD1-CZ3 3.97Å; I285-W310 HydrophobicContact CG1-CE3 4.34Å; I285-V311 PolarHBondContact N-O 2.73Å; I285-S313 PolarHBondContact O-N 3.29Å; I285-S313 VanDerWaalsContact O-N 3.17Å; I285-S313 PolarHBondContact O-OG 2.91Å; I285-W316 HydrophobicContact CD1-CZ3 3.91Å
286	F	94.8	Very high	91.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	81.9	161.6	-67.3	-103.2	0	0	0	108.9	D202 Q205 A206 M209 L224 A225 S226 G231 V235 F238 V284	D202-F286 HydrophobicContact CB-CE1 4.46Å; Q205-F286 HydrophobicContact CG-CE1 4.33Å; A206-F286 HydrophobicContact CB-CZ 4.1Å; M209-F286 HydrophobicContact CE-CE2 4.38Å; M209-F286 HydrophobicContact SD-CD2 4.37Å; M209-F286 HydrophobicContact SD-CE1 4.14Å; M209-F286 HydrophobicContact SD-CE2 3.49Å; M209-F286 WeakPolarHBondContact SD-CE2 3.42Å; M209-F286 HydrophobicContact SD-CZ 3.36Å; M209-F286 WeakPolarHBondContact SD-CZ 3.44Å; L224-F286 PolarHBondContact O-N 2.96Å; A225-F286 WeakPolarHBondContact CA-O 3.47Å; S226-F286 PolarHBondContact N-O 3.37Å; G231-F286 WeakPolarHBondContact CA-O 3.42Å; V235-F286 HydrophobicContact CG2-CB 4.22Å; V235-F286 HydrophobicContact CG2-CD2 3.63Å; V235-F286 HydrophobicContact CG2-CE2 4.39Å; V235-F286 HydrophobicContact CG2-CG 4.28Å; F238-F286 HydrophobicContact CB-CE2 4.14Å; F238-F286 HydrophobicContact CB-CZ 4.48Å; V284-F286 HydrophobicContact CG1-CD2 4.25Å; V284-F286 HydrophobicContact CG1-CE2 3.87Å
287	A	90.9	Very high	91.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.			trans	-135.5	163.1	-175	0	0	0	0	0	112	S226 I256 I285 D291 I292 S315	S226-A287 WeakPolarHBondContact OG-CA 3.4Å; S226-A287 VanDerWaalsContact OG-CB 3.28Å; S226-A287 WeakPolarHBondContact OG-CB 3.31Å; I256-A287 HydrophobicContact CD1-CB 4.03Å; I285-A287 HydrophobicContact CG2-CB 3.45Å; I285-A287 VanDerWaalsContact CG2-CB 3.45Å; A287-D291 HydrophobicContact CB-CB 4.29Å; A287-I292 HydrophobicContact CB-CG1 3.97Å; A287-S315 WeakPolarHBondContact O-CB 3.34Å; A287-S315 PolarHBondContact O-OG 3.18Å
288	N	84.9	Confident	91.4	Very high	69 Å²	69	27.6 Å²	27.6	37%	0.369	14%	0.142	S	C	.	.			trans	-73.1	158.9	176.9	-55.1	-63.6	0	0	0	111.5	S226 E290 D291 I292	S226-N288 WeakPolarHBondContact CB-ND2 3.24Å; S226-N288 PolarHBondContact OG-N 3.06Å; S226-N288 VanDerWaalsContact OG-N 3.1Å; S226-N288 PolarHBondContact OG-ND2 3.37Å; N288-E290 VanDerWaalsContact C-N 3.3Å; N288-E290 PolarHBondContact O-N 3.47Å; N288-D291 PolarHBondContact ND2-OD2 3.19Å; N288-D291 PolarHBondContact O-N 2.88Å; N288-I292 WeakPolarHBondContact O-CG1 3.46Å; N288-I292 PolarHBondContact O-N 3.09Å
289	D	81.4	Confident	91.6	Very high	37 Å²	37	24.1 Å²	24.1	20%	0.198	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-36.7	178	43.2	12.1	0	0	0	112.8	N74 K293 K319 P322	N74-D289 PolarHBondContact ND2-OD2 3.35Å; D289-K293 PolarHBondContact O-N 2.84Å; D289-K319 IonicContact OD2-NZ 3.92Å; D289-K319 PolarHBondContact OD2-NZ 3.23Å; D289-P322 HydrophobicContact CB-CG 4.19Å
290	E	80.6	Confident	91.6	Very high	95 Å²	95	23.4 Å²	23.4	44%	0.444	11%	0.112	S	C	.	.	H	α-helix	trans	-60.7	-41	170.1	-67.8	179	-138.3	0	0	113.2	K71 N288 Q294	K71-E290 IonicContact NZ-OE1 2.77Å; N288-E290 VanDerWaalsContact C-N 3.3Å; N288-E290 PolarHBondContact O-N 3.47Å; E290-Q294 WeakPolarHBondContact O-CG 3.35Å
291	D	87.7	Confident	91.6	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.059	14%	0.135	C	C	.	.	H	α-helix	trans	-76.3	-39.1	-177.2	-69.8	-48.3	0	0	0	111.9	S226 I256 R260 A287 N288 K293 Q294 I295	S226-D291 PolarHBondContact OG-OD2 3.14Å; I256-D291 HydrophobicContact CD1-CB 4.01Å; R260-D291 IonicContact CZ-OD1 2.67Å; R260-D291 VanDerWaalsContact CZ-OD1 3.27Å; R260-D291 IonicContact NH1-OD1 2.97Å; R260-D291 PolarHBondContact NH1-OD1 2.91Å; R260-D291 IonicContact NH2-OD1 3.76Å; R260-D291 PolarHBondContact NH2-OD1 2.79Å; A287-D291 HydrophobicContact CB-CB 4.29Å; N288-D291 PolarHBondContact ND2-OD2 3.19Å; N288-D291 PolarHBondContact O-N 2.88Å; D291-K293 PolarHBondContact O-N 2.94Å; D291-Q294 PolarHBondContact O-N 3.48Å; D291-I295 WeakPolarHBondContact O-CG1 3.32Å; D291-I295 PolarHBondContact O-N 2.8Å
292	I	91.4	Very high	91.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-47.5	177	-69.9	163.1	0	0	0	110.6	I285 A287 N288 Q294 I295 L296 W316 P322	I285-I292 HydrophobicContact CG2-CG1 4.15Å; A287-I292 HydrophobicContact CB-CG1 3.97Å; N288-I292 WeakPolarHBondContact O-CG1 3.46Å; N288-I292 PolarHBondContact O-N 3.09Å; I292-Q294 PolarHBondContact O-N 3.22Å; I292-I295 PolarHBondContact O-N 2.86Å; I292-I295 VanDerWaalsContact O-N 3.14Å; I292-L296 HydrophobicContact CG2-CD1 4.03Å; I292-L296 HydrophobicContact CG2-CG 4.43Å; I292-L296 WeakPolarHBondContact O-CG 3.46Å; I292-L296 PolarHBondContact O-N 2.95Å; I292-W316 HydrophobicContact CD1-CB 3.94Å; I292-W316 HydrophobicContact CD1-CD2 4.41Å; I292-W316 HydrophobicContact CD1-CE3 4.15Å; I292-W316 HydrophobicContact CD1-CG 4.35Å; I292-W316 HydrophobicContact CG1-CE3 4.48Å; I292-W316 HydrophobicContact CG2-CD2 3.89Å; I292-W316 HydrophobicContact CG2-CE3 3.73Å; I292-W316 HydrophobicContact CG2-CH2 4.41Å; I292-W316 HydrophobicContact CG2-CZ3 4Å; I292-P322 HydrophobicContact CG2-CB 4.11Å
293	K	89.6	Confident	91.3	Very high	51 Å²	51	34.9 Å²	34.9	22%	0.222	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-37.5	179.5	-170.7	164.2	-170.7	156.6	0	112.5	D289 D291 A297 N321	D289-K293 PolarHBondContact O-N 2.84Å; D291-K293 PolarHBondContact O-N 2.94Å; K293-A297 WeakPolarHBondContact O-CB 3.46Å; K293-A297 PolarHBondContact O-N 3.31Å; K293-A297 VanDerWaalsContact O-N 3.1Å; K293-N321 WeakPolarHBondContact CE-O 3.32Å; K293-N321 PolarHBondContact NZ-O 2.87Å; K293-N321 PolarHBondContact NZ-OD1 2.94Å
294	Q	89.6	Confident	91	Very high	71 Å²	71	37.1 Å²	37.1	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-78.4	-32.3	179.1	-60.7	-68.9	-41.7	0	0	113	F267 E290 D291 I292 A297 A298	F267-Q294 HydrophobicContact CD1-CB 4.32Å; F267-Q294 HydrophobicContact CD2-CB 3.5Å; F267-Q294 HydrophobicContact CD2-CG 4.29Å; F267-Q294 HydrophobicContact CE1-CB 3.99Å; F267-Q294 HydrophobicContact CE2-CB 3.16Å; F267-Q294 HydrophobicContact CE2-CG 3.64Å; F267-Q294 HydrophobicContact CG-CB 4.09Å; F267-Q294 HydrophobicContact CZ-CB 3.39Å; F267-Q294 HydrophobicContact CZ-CG 4.01Å; E290-Q294 WeakPolarHBondContact O-CG 3.35Å; D291-Q294 PolarHBondContact O-N 3.48Å; I292-Q294 PolarHBondContact O-N 3.22Å; Q294-A297 PolarHBondContact O-N 2.86Å; Q294-A298 WeakPolarHBondContact O-CB 3.45Å; Q294-A298 PolarHBondContact O-N 3.49Å
295	I	93	Very high	90.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-44.9	171.5	-73.8	-74.3	0	0	0	111	L224 I256 F267 I270 I271 D291 I292 A297 A298 A299 W310	L224-I295 HydrophobicContact CD2-CD1 3.8Å; L224-I295 HydrophobicContact CD2-CG1 3.94Å; L224-I295 HydrophobicContact CD2-CG2 4.07Å; I256-I295 HydrophobicContact CD1-CD1 4.32Å; I256-I295 HydrophobicContact CD1-CG1 4.05Å; F267-I295 HydrophobicContact CD1-CD1 3.57Å; F267-I295 HydrophobicContact CD1-CG1 3.85Å; F267-I295 HydrophobicContact CE1-CD1 4.08Å; F267-I295 HydrophobicContact CE1-CG1 3.93Å; I270-I295 HydrophobicContact CB-CD1 4.4Å; I270-I295 HydrophobicContact CG2-CD1 3.66Å; I271-I295 HydrophobicContact CD1-CG2 4.33Å; D291-I295 WeakPolarHBondContact O-CG1 3.32Å; D291-I295 PolarHBondContact O-N 2.8Å; I292-I295 PolarHBondContact O-N 2.86Å; I292-I295 VanDerWaalsContact O-N 3.14Å; I295-A297 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 2.93Å; I295-A298 PolarHBondContact O-N 2.97Å; I295-A299 WeakPolarHBondContact O-CB 3.31Å; I295-A299 PolarHBondContact O-N 2.88Å; I295-W310 HydrophobicContact CG2-CH2 3.97Å; I295-W310 HydrophobicContact CG2-CZ3 4.09Å
296	L	93.4	Very high	90.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-40.3	174.9	-64.2	173.3	0	0	0	111.4	I292 A299 K300 W310 W316 L323 H326 I329	I292-L296 HydrophobicContact CG2-CD1 4.03Å; I292-L296 HydrophobicContact CG2-CG 4.43Å; I292-L296 WeakPolarHBondContact O-CG 3.46Å; I292-L296 PolarHBondContact O-N 2.95Å; L296-A299 PolarHBondContact O-N 3.16Å; L296-K300 PolarHBondContact O-N 3.15Å; L296-W310 HydrophobicContact CD2-CD2 4.48Å; L296-W310 HydrophobicContact CD2-CZ2 4.16Å; L296-W316 HydrophobicContact CD1-CH2 4.29Å; L296-W316 HydrophobicContact CD1-CZ2 4.13Å; L296-W316 HydrophobicContact CD2-CH2 4.19Å; L296-L323 HydrophobicContact CD1-CD2 3.97Å; L296-H326 HydrophobicContact CB-CB 3.99Å; L296-I329 HydrophobicContact CD2-CG2 3.8Å; L296-I329 WeakPolarHBondContact O-CD1 3.31Å
297	A	92	Very high	90.1	Very high	18 Å²	18	44 Å²	44	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-43.6	173.1	0	0	0	0	0	113.2	K293 Q294 I295 K300 R301 H326	K293-A297 WeakPolarHBondContact O-CB 3.46Å; K293-A297 PolarHBondContact O-N 3.31Å; K293-A297 VanDerWaalsContact O-N 3.1Å; Q294-A297 PolarHBondContact O-N 2.86Å; I295-A297 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 2.93Å; A297-K300 VanDerWaalsContact O-CB 3.32Å; A297-K300 WeakPolarHBondContact O-CB 3.46Å; A297-K300 PolarHBondContact O-N 3.47Å; A297-R301 WeakPolarHBondContact O-CG 3.41Å; A297-R301 PolarHBondContact O-N 3.24Å; A297-H326 VanDerWaalsContact CA-CD2 3.45Å; A297-H326 WeakPolarHBondContact CA-CD2 3.42Å; A297-H326 WeakPolarHBondContact CA-NE2 3.34Å; A297-H326 WeakPolarHBondContact CB-NE2 3.43Å
298	A	92.4	Very high	90.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-39.5	176.6	0	0	0	0	0	112.1	F267 D268 I271 Q294 I295 K300 R301 A302	F267-A298 HydrophobicContact CB-CB 3.7Å; D268-A298 WeakPolarHBondContact OD1-CB 3.35Å; I271-A298 HydrophobicContact CG1-CB 3.61Å; Q294-A298 WeakPolarHBondContact O-CB 3.45Å; Q294-A298 PolarHBondContact O-N 3.49Å; I295-A298 PolarHBondContact O-N 2.97Å; A298-K300 PolarHBondContact O-N 2.68Å; A298-R301 PolarHBondContact O-N 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.1Å
299	A	93.8	Very high	90.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-33.2	172.5	0	0	0	0	0	112.2	I271 I295 L296 A302 D303 Q304 W310 I329	I271-A299 HydrophobicContact CD1-CB 4.06Å; I295-A299 WeakPolarHBondContact O-CB 3.31Å; I295-A299 PolarHBondContact O-N 2.88Å; L296-A299 PolarHBondContact O-N 3.16Å; A299-A302 PolarHBondContact O-N 2.84Å; A299-D303 PolarHBondContact O-N 2.88Å; A299-Q304 PolarHBondContact O-N 2.83Å; A299-Q304 VanDerWaalsContact O-N 3.09Å; A299-W310 HydrophobicContact CB-CH2 4.48Å; A299-W310 HydrophobicContact CB-CZ2 4.12Å; A299-I329 HydrophobicContact CB-CD1 4.37Å; A299-I329 HydrophobicContact CB-CG2 4.09Å
300	K	92.4	Very high	91.5	Very high	73 Å²	73	40.1 Å²	40.1	32%	0.317	21%	0.208	S	C	.	.	H	α-helix	trans	-68.1	-46.3	174.3	-155.5	149.9	-174.9	161.6	0	112.3	L296 A297 A298 A302 D303 Q325 D328 I329	L296-K300 PolarHBondContact O-N 3.15Å; A297-K300 VanDerWaalsContact O-CB 3.32Å; A297-K300 WeakPolarHBondContact O-CB 3.46Å; A297-K300 PolarHBondContact O-N 3.47Å; A298-K300 PolarHBondContact O-N 2.68Å; K300-A302 PolarHBondContact O-N 3.33Å; K300-D303 PolarHBondContact O-N 2.96Å; K300-D303 VanDerWaalsContact O-N 3.11Å; K300-Q325 PolarHBondContact NZ-O 3.33Å; K300-D328 WeakPolarHBondContact CE-OD2 3.33Å; K300-D328 IonicContact NZ-OD1 3.4Å; K300-D328 PolarHBondContact NZ-OD1 3.28Å; K300-D328 IonicContact NZ-OD2 2.81Å; K300-D328 PolarHBondContact NZ-OD2 3.12Å; K300-I329 HydrophobicContact CB-CD1 3.31Å; K300-I329 HydrophobicContact CD-CD1 3.85Å; K300-I329 HydrophobicContact CG-CD1 3.67Å; K300-I329 VanDerWaalsContact N-CD1 3.32Å
301	R	92.4	Very high	92.2	Very high	130 Å²	130	35.6 Å²	35.6	49%	0.491	19%	0.187	S	C	.	.	H	α-helix	trans	-64.5	-24.1	175.8	-64.5	-171.5	-55.6	-154.9	1.7	113.2	T264 D268 A297 A298	T264-R301 PolarHBondContact O-NH2 2.81Å; D268-R301 IonicContact OD1-CZ 3.8Å; D268-R301 VanDerWaalsContact OD1-CZ 3.31Å; D268-R301 IonicContact OD1-NE 2.66Å; D268-R301 PolarHBondContact OD1-NE 2.78Å; D268-R301 VanDerWaalsContact OD1-NE 3.13Å; D268-R301 IonicContact OD1-NH2 3.2Å; D268-R301 PolarHBondContact OD1-NH2 3.45Å; D268-R301 IonicContact OD2-CZ 3.54Å; D268-R301 IonicContact OD2-NE 3.14Å; D268-R301 IonicContact OD2-NH2 3.35Å; D268-R301 PolarHBondContact OD2-NH2 2.9Å; A297-R301 WeakPolarHBondContact O-CG 3.41Å; A297-R301 PolarHBondContact O-N 3.24Å; A298-R301 PolarHBondContact O-N 3.3Å
302	A	92.8	Very high	92.6	Very high	36 Å²	36	35 Å²	35	30%	0.298	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.4	175.6	0	0	0	0	0	114.3	I271 A298 A299 K300 Q304	I271-A302 HydrophobicContact CG2-CB 3.7Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.1Å; A299-A302 PolarHBondContact O-N 2.84Å; K300-A302 PolarHBondContact O-N 3.33Å; A302-Q304 VanDerWaalsContact C-N 3.3Å; A302-Q304 HydrophobicContact CB-CG 3.94Å; A302-Q304 WeakPolarHBondContact O-CG 3.02Å; A302-Q304 PolarHBondContact O-N 3Å; A302-Q304 PolarHBondContact O-NE2 3.14Å
303	D	93	Very high	92.7	Very high	136 Å²	136	35 Å²	35	73%	0.727	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	36.9	-178.1	-159.8	29.4	0	0	0	114.1	A299 K300	A299-D303 PolarHBondContact O-N 2.88Å; K300-D303 PolarHBondContact O-N 2.96Å; K300-D303 VanDerWaalsContact O-N 3.11Å
304	Q	92.3	Very high	92.8	Very high	47 Å²	47	33 Å²	33	22%	0.22	18%	0.175	C	C	.	.			trans	-99.4	32.8	-175.9	-61.4	-50.7	-59.5	0	0	113.8	L275 A299 A302 G306 H307 F308	L275-Q304 HydrophobicContact CD1-CG 4.06Å; L275-Q304 HydrophobicContact CD2-CG 4.14Å; A299-Q304 PolarHBondContact O-N 2.83Å; A299-Q304 VanDerWaalsContact O-N 3.09Å; A302-Q304 VanDerWaalsContact C-N 3.3Å; A302-Q304 HydrophobicContact CB-CG 3.94Å; A302-Q304 WeakPolarHBondContact O-CG 3.02Å; A302-Q304 PolarHBondContact O-N 3Å; A302-Q304 PolarHBondContact O-NE2 3.14Å; Q304-G306 PolarHBondContact O-N 3.05Å; Q304-H307 HydrophobicContact CB-CB 4.19Å; Q304-H307 PolarHBondContact O-N 3.47Å; Q304-H307 VanDerWaalsContact O-N 3.12Å; Q304-F308 HydrophobicContact CB-CD2 4.16Å; Q304-F308 HydrophobicContact CB-CE2 3.9Å; Q304-F308 HydrophobicContact CG-CE2 4.18Å
305	V	89.3	Confident	92.6	Very high	70 Å²	70	30.2 Å²	30.2	42%	0.424	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	119.5	-178.3	-173	0	0	0	0	110.5	H307 D328 I329	V305-H307 PolarHBondContact O-N 2.59Å; V305-D328 HydrophobicContact CG1-CB 4.33Å; V305-D328 WeakPolarHBondContact CG1-O 3.24Å; V305-I329 HydrophobicContact CB-CG1 4.41Å; V305-I329 HydrophobicContact CG1-CG1 4.36Å; V305-I329 HydrophobicContact CG2-CD1 4.38Å; V305-I329 HydrophobicContact CG2-CG1 3.96Å
306	G	87.4	Confident	92.5	Very high	34 Å²	34	30.2 Å²	30.2	35%	0.351	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	4.3	-177.4	0	0	0	0	0	115.8	R281 Q304	R281-G306 PolarHBondContact NH2-O 3.19Å; Q304-G306 PolarHBondContact O-N 3.05Å
307	H	91.8	Very high	92.2	Very high	41 Å²	41	30.1 Å²	30.1	19%	0.19	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-57.6	172.4	176.1	68.6	0	0	0	110.7	R281 Q304 V305	R281-H307 PolarHBondContact NE-O 3.38Å; R281-H307 PolarHBondContact NH2-O 3.42Å; R281-H307 VanDerWaalsContact NH2-O 3.13Å; Q304-H307 HydrophobicContact CB-CB 4.19Å; Q304-H307 PolarHBondContact O-N 3.47Å; Q304-H307 VanDerWaalsContact O-N 3.12Å; V305-H307 PolarHBondContact O-N 2.59Å
308	F	94.8	Very high	92	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.035	17%	0.166	C	C	.	.	S	Bend	trans	-77.2	148.8	179.2	-60.4	-66.1	0	0	0	112.3	I271 L274 L275 R281 V283 Q304 W310	I271-F308 HydrophobicContact CG2-CE2 4.25Å; L274-F308 HydrophobicContact CB-CE1 3.92Å; L274-F308 HydrophobicContact CB-CZ 3.93Å; L275-F308 HydrophobicContact CD2-CE1 4.42Å; L275-F308 HydrophobicContact CD2-CE2 4.38Å; L275-F308 HydrophobicContact CD2-CZ 3.74Å; L275-F308 HydrophobicContact CG-CZ 4.03Å; R281-F308 CarbonylContact O-C 3.5Å; R281-F308 VanDerWaalsContact O-CA 3.32Å; R281-F308 WeakPolarHBondContact O-CA 3.43Å; V283-F308 HydrophobicContact CG2-CB 4.34Å; V283-F308 HydrophobicContact CG2-CD1 3.65Å; V283-F308 HydrophobicContact CG2-CE1 4.35Å; V283-F308 HydrophobicContact CG2-CG 4.28Å; Q304-F308 HydrophobicContact CB-CD2 4.16Å; Q304-F308 HydrophobicContact CB-CE2 3.9Å; Q304-F308 HydrophobicContact CG-CE2 4.18Å; F308-W310 HydrophobicContact CB-CD2 4.17Å; F308-W310 HydrophobicContact CB-CE3 4.34Å; F308-W310 HydrophobicContact CB-CH2 3.88Å; F308-W310 HydrophobicContact CB-CZ2 3.64Å; F308-W310 HydrophobicContact CB-CZ3 4.21Å; F308-W310 AromaticContact CD2-CH2 3.77Å; F308-W310 HydrophobicContact CD2-CH2 3.77Å; F308-W310 AromaticContact CD2-CZ2 3.81Å; F308-W310 HydrophobicContact CD2-CZ2 3.81Å; F308-W310 AromaticContact CG-CH2 3.91Å; F308-W310 HydrophobicContact CG-CH2 3.91Å; F308-W310 HydrophobicContact CG-CZ2 4.03Å; F308-W310 HydrophobicContact CG-CZ3 4.41Å
309	L	95.3	Very high	91.6	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.063	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	99.7	177.5	-49.8	165.4	0	0	0	107	W218 R281 A282 V283 W511 P519	W218-L309 HydrophobicContact CH2-CB 3.88Å; W218-L309 HydrophobicContact CH2-CD1 4.26Å; W218-L309 HydrophobicContact CZ2-CB 4.13Å; W218-L309 HydrophobicContact CZ2-CD1 3.66Å; W218-L309 HydrophobicContact CZ2-CG 4.46Å; R281-L309 HydrophobicContact CB-CD1 3.92Å; R281-L309 HydrophobicContact CB-CG 4.18Å; R281-L309 PolarHBondContact O-N 3.17Å; A282-L309 VanDerWaalsContact CA-O 3.31Å; A282-L309 WeakPolarHBondContact CA-O 3.39Å; A282-L309 HydrophobicContact CB-CB 4.42Å; V283-L309 PolarHBondContact N-O 3.18Å; L309-W511 HydrophobicContact CD2-CE3 4.12Å; L309-W511 HydrophobicContact CD2-CZ3 4.28Å; L309-P519 HydrophobicContact CD1-CB 3.94Å; L309-P519 HydrophobicContact CD2-CB 4.08Å; L309-P519 HydrophobicContact CD2-CG 4.02Å
310	W	95.7	Very high	91	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.4	-170.3	-48.9	105.9	0	0	0	112.1	V283 I285 I295 L296 A299 F308 W316 I329 A333 I334	V283-W310 HydrophobicContact CB-CE3 3.81Å; V283-W310 HydrophobicContact CB-CZ3 3.94Å; V283-W310 HydrophobicContact CG1-CE3 4.2Å; V283-W310 HydrophobicContact CG1-CZ3 4.03Å; V283-W310 HydrophobicContact CG2-CE3 4.35Å; V283-W310 HydrophobicContact CG2-CZ3 4.16Å; I285-W310 HydrophobicContact CD1-CD2 4.29Å; I285-W310 HydrophobicContact CD1-CE3 3.46Å; I285-W310 VanDerWaalsContact CD1-CE3 3.46Å; I285-W310 HydrophobicContact CD1-CZ3 3.97Å; I285-W310 HydrophobicContact CG1-CE3 4.34Å; I295-W310 HydrophobicContact CG2-CH2 3.97Å; I295-W310 HydrophobicContact CG2-CZ3 4.09Å; L296-W310 HydrophobicContact CD2-CD2 4.48Å; L296-W310 HydrophobicContact CD2-CZ2 4.16Å; A299-W310 HydrophobicContact CB-CH2 4.48Å; A299-W310 HydrophobicContact CB-CZ2 4.12Å; F308-W310 HydrophobicContact CB-CD2 4.17Å; F308-W310 HydrophobicContact CB-CE3 4.34Å; F308-W310 HydrophobicContact CB-CH2 3.88Å; F308-W310 HydrophobicContact CB-CZ2 3.64Å; F308-W310 HydrophobicContact CB-CZ3 4.21Å; F308-W310 AromaticContact CD2-CH2 3.77Å; F308-W310 HydrophobicContact CD2-CH2 3.77Å; F308-W310 AromaticContact CD2-CZ2 3.81Å; F308-W310 HydrophobicContact CD2-CZ2 3.81Å; F308-W310 AromaticContact CG-CH2 3.91Å; F308-W310 HydrophobicContact CG-CH2 3.91Å; F308-W310 HydrophobicContact CG-CZ2 4.03Å; F308-W310 HydrophobicContact CG-CZ3 4.41Å; W310-W316 HydrophobicContact CB-CH2 3.81Å; W310-W316 HydrophobicContact CB-CZ3 3.95Å; W310-W316 HydrophobicContact CG-CH2 4.06Å; W310-W316 HydrophobicContact CG-CZ3 4.44Å; W310-I329 VanDerWaalsContact CD1-O 3.3Å; W310-I329 HydrophobicContact CZ2-CG2 4.05Å; W310-I329 PolarHBondContact NE1-O 3.01Å; W310-A333 HydrophobicContact CB-CB 3.91Å; W310-A333 HydrophobicContact CG-CB 4.47Å; W310-I334 PolarHBondContact O-N 3.41Å
311	V	97.1	Very high	90.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	102.7	167.9	-166.6	0	0	0	0	108.2	M209 W218 V283 V284 I285 I334	M209-V311 HydrophobicContact CE-CB 4.42Å; M209-V311 HydrophobicContact CE-CG1 3.9Å; M209-V311 VanDerWaalsContact CE-O 3.25Å; M209-V311 WeakPolarHBondContact CE-O 3.49Å; M209-V311 HydrophobicContact CG-CG1 4.31Å; W218-V311 HydrophobicContact CZ3-CG2 3.78Å; V283-V311 PolarHBondContact O-N 2.75Å; V284-V311 WeakPolarHBondContact CA-O 3.38Å; V284-V311 HydrophobicContact CG2-CB 4.29Å; I285-V311 PolarHBondContact N-O 2.73Å; V311-I334 CarbonylContact C-O 3.26Å; V311-I334 WeakPolarHBondContact CA-O 3.32Å
312	G	95.4	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.9	-172.9	0	0	0	0	0	114.4	I334 T335 I336	G312-I334 PolarHBondContact N-O 2.94Å; G312-T335 WeakPolarHBondContact O-CA 3.36Å; G312-I336 PolarHBondContact O-N 3.23Å; G312-I336 VanDerWaalsContact O-N 3.15Å
313	S	94.3	Very high	89.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.			trans	-76.3	-177.9	172.4	64.8	0	0	0	0	113.7	Y230 I285 S315 W316 G317	Y230-S313 WeakPolarHBondContact OH-CB 3.47Å; Y230-S313 PolarHBondContact OH-OG 3.18Å; I285-S313 PolarHBondContact O-N 3.29Å; I285-S313 VanDerWaalsContact O-N 3.17Å; I285-S313 PolarHBondContact O-OG 2.91Å; S313-S315 PolarHBondContact O-N 3.06Å; S313-S315 PolarHBondContact OG-OG 3.4Å; S313-W316 WeakPolarHBondContact O-CB 3.43Å; S313-W316 PolarHBondContact O-N 3.19Å; S313-G317 PolarHBondContact O-N 3.12Å
314	D	90.1	Very high	88.7	Confident	9 Å²	9	27.8 Å²	27.8	5%	0.048	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.2	-173	76.7	-65.8	0	0	0	115.5	Q205 Y230 W316 I336 P338 K407	Q205-D314 VanDerWaalsContact NE2-N 3.15Å; Q205-D314 PolarHBondContact NE2-OD1 3.48Å; Y230-D314 PolarHBondContact OH-OD1 3.2Å; D314-W316 PolarHBondContact O-N 3.11Å; D314-I336 VanDerWaalsContact CA-O 3.31Å; D314-I336 WeakPolarHBondContact CA-O 3.41Å; D314-I336 PolarHBondContact N-O 3.42Å; D314-P338 VanDerWaalsContact CB-CD 3.43Å; D314-P338 HydrophobicContact CB-CG 4.09Å; D314-K407 WeakPolarHBondContact OD2-CE 3.44Å; D314-K407 IonicContact OD2-NZ 3.02Å; D314-K407 PolarHBondContact OD2-NZ 2.81Å
315	S	86.4	Confident	88.4	Confident	14 Å²	14	31.6 Å²	31.6	10%	0.098	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	168.5	48	0	0	0	0	111.7	Y230 A287 S313 K319	Y230-S315 WeakPolarHBondContact OH-CB 3.29Å; Y230-S315 PolarHBondContact OH-N 3.2Å; Y230-S315 PolarHBondContact OH-OG 2.92Å; Y230-S315 VanDerWaalsContact OH-OG 3.05Å; A287-S315 WeakPolarHBondContact O-CB 3.34Å; A287-S315 PolarHBondContact O-OG 3.18Å; S313-S315 PolarHBondContact O-N 3.06Å; S313-S315 PolarHBondContact OG-OG 3.4Å; S315-K319 WeakPolarHBondContact O-CD 3.48Å; S315-K319 WeakPolarHBondContact O-CE 3.49Å; S315-K319 PolarHBondContact O-NZ 3.35Å
316	W	89.9	Confident	88.3	Confident	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-61.1	171	-160.3	-28.9	0	0	0	110.2	I285 I292 L296 W310 S313 D314 S318 K319 L323 A330 A333 T335 Y492	I285-W316 HydrophobicContact CD1-CZ3 3.91Å; I292-W316 HydrophobicContact CD1-CB 3.94Å; I292-W316 HydrophobicContact CD1-CD2 4.41Å; I292-W316 HydrophobicContact CD1-CE3 4.15Å; I292-W316 HydrophobicContact CD1-CG 4.35Å; I292-W316 HydrophobicContact CG1-CE3 4.48Å; I292-W316 HydrophobicContact CG2-CD2 3.89Å; I292-W316 HydrophobicContact CG2-CE3 3.73Å; I292-W316 HydrophobicContact CG2-CH2 4.41Å; I292-W316 HydrophobicContact CG2-CZ3 4Å; L296-W316 HydrophobicContact CD1-CH2 4.29Å; L296-W316 HydrophobicContact CD1-CZ2 4.13Å; L296-W316 HydrophobicContact CD2-CH2 4.19Å; W310-W316 HydrophobicContact CB-CH2 3.81Å; W310-W316 HydrophobicContact CB-CZ3 3.95Å; W310-W316 HydrophobicContact CG-CH2 4.06Å; W310-W316 HydrophobicContact CG-CZ3 4.44Å; S313-W316 WeakPolarHBondContact O-CB 3.43Å; S313-W316 PolarHBondContact O-N 3.19Å; D314-W316 PolarHBondContact O-N 3.11Å; W316-S318 PolarHBondContact O-N 3.45Å; W316-K319 VanDerWaalsContact O-CB 3.3Å; W316-K319 WeakPolarHBondContact O-CB 3.46Å; W316-K319 WeakPolarHBondContact O-CG 3.24Å; W316-K319 PolarHBondContact O-N 3.32Å; W316-K319 VanDerWaalsContact O-N 3.08Å; W316-L323 HydrophobicContact CZ2-CD2 3.61Å; W316-A330 HydrophobicContact CZ2-CB 4.27Å; W316-A333 HydrophobicContact CH2-CB 4.16Å; W316-A333 HydrophobicContact CZ2-CB 4.18Å; W316-T335 HydrophobicContact CB-CG2 4.1Å; W316-T335 HydrophobicContact CD2-CG2 3.75Å; W316-T335 HydrophobicContact CE3-CG2 4.32Å; W316-T335 HydrophobicContact CG-CG2 3.66Å; W316-Y492 PolarHBondContact NE1-OH 3.03Å
317	G	88.7	Confident	88.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	-134.3	-177.6	0	0	0	0	0	112.7	S313 T335 Y492	S313-G317 PolarHBondContact O-N 3.12Å; G317-T335 VanDerWaalsContact O-CB 3.27Å; G317-T335 WeakPolarHBondContact O-CB 3.39Å; G317-T335 PolarHBondContact O-OG1 3.41Å; G317-Y492 WeakPolarHBondContact O-CE1 3.21Å
318	S	87.1	Confident	88.2	Confident	29 Å²	29	31.7 Å²	31.7	20%	0.203	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	19.4	175	71.2	0	0	0	0	114.2	W316 Q337 R340 Y492	W316-S318 PolarHBondContact O-N 3.45Å; S318-Q337 PolarHBondContact OG-NE2 3.23Å; S318-Q337 PolarHBondContact OG-OE1 2.94Å; S318-R340 PolarHBondContact OG-NH2 2.84Å; S318-Y492 VanDerWaalsContact O-CD2 3.3Å; S318-Y492 WeakPolarHBondContact O-CD2 3.44Å; S318-Y492 WeakPolarHBondContact O-CE2 3.28Å
319	K	83.6	Confident	88	Confident	40 Å²	40	31.5 Å²	31.5	17%	0.174	16%	0.159	C	C	.	.			trans	-75.2	136.6	-176	-64.1	175.2	-179	167.2	0	112.2	D289 S315 W316 P322 Y492	D289-K319 IonicContact OD2-NZ 3.92Å; D289-K319 PolarHBondContact OD2-NZ 3.23Å; S315-K319 WeakPolarHBondContact O-CD 3.48Å; S315-K319 WeakPolarHBondContact O-CE 3.49Å; S315-K319 PolarHBondContact O-NZ 3.35Å; W316-K319 VanDerWaalsContact O-CB 3.3Å; W316-K319 WeakPolarHBondContact O-CB 3.46Å; W316-K319 WeakPolarHBondContact O-CG 3.24Å; W316-K319 PolarHBondContact O-N 3.32Å; W316-K319 VanDerWaalsContact O-N 3.08Å; K319-P322 HydrophobicContact CB-CG 4.21Å; K319-Y492 VanDerWaalsContact O-CE2 3.32Å; K319-Y492 WeakPolarHBondContact O-CE2 3.33Å; K319-Y492 PolarHBondContact O-OH 3.13Å
320	I	81.4	Confident	87.8	Confident	88 Å²	88	31 Å²	31	45%	0.451	16%	0.156	S	C	.	.	S	Bend	trans	-85.4	-28.1	174.8	-165.6	63.4	0	0	0	113.7	L323 H324 Y482	I320-L323 HydrophobicContact CD1-CB 4.27Å; I320-L323 HydrophobicContact CD1-CD1 4.19Å; I320-L323 WeakPolarHBondContact O-CA 3.35Å; I320-L323 WeakPolarHBondContact O-CB 3.25Å; I320-L323 PolarHBondContact O-N 3.04Å; I320-H324 PolarHBondContact O-N 3.1Å; I320-Y482 HydrophobicContact CD1-CE2 4.31Å
321	N	77.3	Confident	87.6	Confident	89 Å²	89	32.9 Å²	32.9	48%	0.476	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-39.5	-176.3	-177.4	13.9	0	0	0	114.8	K293 L323	K293-N321 WeakPolarHBondContact CE-O 3.32Å; K293-N321 PolarHBondContact NZ-O 2.87Å; K293-N321 PolarHBondContact NZ-OD1 2.94Å; N321-L323 PolarHBondContact O-N 3.36Å
322	P	79.9	Confident	87.3	Confident	3 Å²	3	33 Å²	33	2%	0.019	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.5	173.4	-21.9	34.3	0	0	0	113.8	D289 I292 K319	D289-P322 HydrophobicContact CB-CG 4.19Å; I292-P322 HydrophobicContact CG2-CB 4.11Å; K319-P322 HydrophobicContact CB-CG 4.21Å
323	L	83.4	Confident	87.2	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-22.5	-176.4	-58.2	-169.5	0	0	0	114.1	L296 W316 I320 N321 Q325 H326 E327 A330 Y482 Y492	L296-L323 HydrophobicContact CD1-CD2 3.97Å; W316-L323 HydrophobicContact CZ2-CD2 3.61Å; I320-L323 HydrophobicContact CD1-CB 4.27Å; I320-L323 HydrophobicContact CD1-CD1 4.19Å; I320-L323 WeakPolarHBondContact O-CA 3.35Å; I320-L323 WeakPolarHBondContact O-CB 3.25Å; I320-L323 PolarHBondContact O-N 3.04Å; N321-L323 PolarHBondContact O-N 3.36Å; L323-Q325 PolarHBondContact O-N 2.68Å; L323-H326 CarbonylContact O-C 3.53Å; L323-H326 VanDerWaalsContact O-CA 3.3Å; L323-H326 WeakPolarHBondContact O-CA 3.31Å; L323-H326 WeakPolarHBondContact O-CB 3.27Å; L323-H326 PolarHBondContact O-N 2.91Å; L323-E327 HydrophobicContact CB-CG 4.47Å; L323-E327 PolarHBondContact O-N 2.9Å; L323-A330 HydrophobicContact CD1-CB 4.35Å; L323-A330 HydrophobicContact CD2-CB 3.44Å; L323-A330 VanDerWaalsContact CD2-CB 3.44Å; L323-A330 HydrophobicContact CG-CB 4.48Å; L323-Y482 HydrophobicContact CD1-CD1 4.24Å; L323-Y482 HydrophobicContact CD1-CD2 3.33Å; L323-Y482 HydrophobicContact CD1-CE1 4.25Å; L323-Y482 HydrophobicContact CD1-CE2 3.33Å; L323-Y482 HydrophobicContact CD1-CG 3.81Å; L323-Y492 HydrophobicContact CD1-CE2 4Å; L323-Y492 WeakPolarHBondContact CD1-OH 3.37Å
324	H	82.3	Confident	87.3	Confident	95 Å²	95	33 Å²	33	44%	0.44	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	119.1	-172.2	-177.8	-81.7	0	0	0	112.7	I320 H326 E327	I320-H324 PolarHBondContact O-N 3.1Å; H324-H326 VanDerWaalsContact C-N 3.33Å; H324-H326 PolarHBondContact O-ND1 3.42Å; H324-E327 VanDerWaalsContact CA-OE1 3.26Å; H324-E327 WeakPolarHBondContact CA-OE1 3.31Å
325	Q	84.5	Confident	87.6	Confident	126 Å²	126	32.6 Å²	32.6	59%	0.589	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	6.3	-173.7	-61	157	-33.8	0	0	116.5	K300 L323 E327	K300-Q325 PolarHBondContact NZ-O 3.33Å; L323-Q325 PolarHBondContact O-N 2.68Å; Q325-E327 WeakPolarHBondContact CA-OE2 3.29Å; Q325-E327 VanDerWaalsContact N-CD 3.31Å; Q325-E327 PolarHBondContact N-OE1 3.29Å; Q325-E327 PolarHBondContact N-OE2 3.47Å; Q325-E327 VanDerWaalsContact N-OE2 3.16Å
326	H	88.2	Confident	87.9	Confident	27 Å²	27	32 Å²	32	13%	0.125	16%	0.159	C	C	.	.			trans	-135.2	19.1	-174.2	-52.6	85.5	0	0	0	112.5	L296 A297 L323 H324 D328 I329 A330	L296-H326 HydrophobicContact CB-CB 3.99Å; A297-H326 VanDerWaalsContact CA-CD2 3.45Å; A297-H326 WeakPolarHBondContact CA-CD2 3.42Å; A297-H326 WeakPolarHBondContact CA-NE2 3.34Å; A297-H326 WeakPolarHBondContact CB-NE2 3.43Å; L323-H326 CarbonylContact O-C 3.53Å; L323-H326 VanDerWaalsContact O-CA 3.3Å; L323-H326 WeakPolarHBondContact O-CA 3.31Å; L323-H326 WeakPolarHBondContact O-CB 3.27Å; L323-H326 PolarHBondContact O-N 2.91Å; H324-H326 VanDerWaalsContact C-N 3.33Å; H324-H326 PolarHBondContact O-ND1 3.42Å; H326-D328 VanDerWaalsContact C-OD1 3.29Å; H326-D328 PolarHBondContact O-N 3.39Å; H326-I329 PolarHBondContact O-N 3.23Å; H326-I329 VanDerWaalsContact O-N 3.15Å; H326-A330 PolarHBondContact O-N 3.04Å
327	E	88.7	Confident	88	Confident	59 Å²	59	32.4 Å²	32.4	28%	0.276	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.8	-175.3	-60.7	81.7	-177.8	0	0	112.6	L323 H324 Q325 I329 A330 E331 Y482	L323-E327 HydrophobicContact CB-CG 4.47Å; L323-E327 PolarHBondContact O-N 2.9Å; H324-E327 VanDerWaalsContact CA-OE1 3.26Å; H324-E327 WeakPolarHBondContact CA-OE1 3.31Å; Q325-E327 WeakPolarHBondContact CA-OE2 3.29Å; Q325-E327 VanDerWaalsContact N-CD 3.31Å; Q325-E327 PolarHBondContact N-OE1 3.29Å; Q325-E327 PolarHBondContact N-OE2 3.47Å; Q325-E327 VanDerWaalsContact N-OE2 3.16Å; E327-I329 VanDerWaalsContact C-N 3.29Å; E327-I329 PolarHBondContact O-N 3.33Å; E327-A330 PolarHBondContact O-N 3.34Å; E327-E331 PolarHBondContact O-N 2.9Å; E327-Y482 HydrophobicContact CB-CE1 4.09Å; E327-Y482 WeakPolarHBondContact CB-OH 3.23Å; E327-Y482 WeakPolarHBondContact CG-OH 3.41Å; E327-Y482 WeakPolarHBondContact O-CE1 3.46Å
328	D	88.3	Confident	88.1	Confident	62 Å²	62	32.8 Å²	32.8	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.1	176.5	53.9	-14.4	0	0	0	114.1	K300 V305 H326	K300-D328 WeakPolarHBondContact CE-OD2 3.33Å; K300-D328 IonicContact NZ-OD1 3.4Å; K300-D328 PolarHBondContact NZ-OD1 3.28Å; K300-D328 IonicContact NZ-OD2 2.81Å; K300-D328 PolarHBondContact NZ-OD2 3.12Å; V305-D328 HydrophobicContact CG1-CB 4.33Å; V305-D328 WeakPolarHBondContact CG1-O 3.24Å; H326-D328 VanDerWaalsContact C-OD1 3.29Å; H326-D328 PolarHBondContact O-N 3.39Å
329	I	91.2	Very high	88.2	Confident	4 Å²	4	35 Å²	35	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-19.8	179	-67.3	168.9	0	0	0	111.6	L296 A299 K300 V305 W310 H326 E327	L296-I329 HydrophobicContact CD2-CG2 3.8Å; L296-I329 WeakPolarHBondContact O-CD1 3.31Å; A299-I329 HydrophobicContact CB-CD1 4.37Å; A299-I329 HydrophobicContact CB-CG2 4.09Å; K300-I329 HydrophobicContact CB-CD1 3.31Å; K300-I329 HydrophobicContact CD-CD1 3.85Å; K300-I329 HydrophobicContact CG-CD1 3.67Å; K300-I329 VanDerWaalsContact N-CD1 3.32Å; V305-I329 HydrophobicContact CB-CG1 4.41Å; V305-I329 HydrophobicContact CG1-CG1 4.36Å; V305-I329 HydrophobicContact CG2-CD1 4.38Å; V305-I329 HydrophobicContact CG2-CG1 3.96Å; W310-I329 VanDerWaalsContact CD1-O 3.3Å; W310-I329 HydrophobicContact CZ2-CG2 4.05Å; W310-I329 PolarHBondContact NE1-O 3.01Å; H326-I329 PolarHBondContact O-N 3.23Å; H326-I329 VanDerWaalsContact O-N 3.15Å; E327-I329 VanDerWaalsContact C-N 3.29Å; E327-I329 PolarHBondContact O-N 3.33Å
330	A	90.6	Very high	88.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-90.1	-1.2	174.5	0	0	0	0	0	113.5	W316 L323 H326 E327 G332 A333 Y482	W316-A330 HydrophobicContact CZ2-CB 4.27Å; L323-A330 HydrophobicContact CD1-CB 4.35Å; L323-A330 HydrophobicContact CD2-CB 3.44Å; L323-A330 VanDerWaalsContact CD2-CB 3.44Å; L323-A330 HydrophobicContact CG-CB 4.48Å; H326-A330 PolarHBondContact O-N 3.04Å; E327-A330 PolarHBondContact O-N 3.34Å; A330-G332 PolarHBondContact O-N 2.81Å; A330-G332 VanDerWaalsContact O-N 3.11Å; A330-A333 HydrophobicContact CB-CB 4.27Å; A330-A333 WeakPolarHBondContact O-CB 3.11Å; A330-A333 PolarHBondContact O-N 3.33Å; A330-Y482 HydrophobicContact CB-CD1 4.02Å; A330-Y482 HydrophobicContact CB-CG 4.49Å
331	E	90.3	Very high	88.7	Confident	45 Å²	45	34.2 Å²	34.2	21%	0.21	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	117.2	176.2	-171.9	-178.5	-172.7	0	0	110.8	E327 G512 K513	E327-E331 PolarHBondContact O-N 2.9Å; E331-G512 VanDerWaalsContact CD-CA 3.49Å; E331-G512 WeakPolarHBondContact OE2-CA 3.4Å; E331-K513 VanDerWaalsContact CD-N 3.34Å; E331-K513 PolarHBondContact OE1-N 2.65Å; E331-K513 PolarHBondContact OE2-N 3.42Å; E331-K513 VanDerWaalsContact OE2-N 3.1Å
332	G	91.2	Very high	89.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.5	-175.4	0	0	0	0	0	115.3	A330 I334 Q481 Y482 Q510 W511	A330-G332 PolarHBondContact O-N 2.81Å; A330-G332 VanDerWaalsContact O-N 3.11Å; G332-I334 PolarHBondContact O-N 2.75Å; G332-Q481 PolarHBondContact O-NE2 3.46Å; G332-Y482 PolarHBondContact N-O 3.33Å; G332-Q510 WeakPolarHBondContact CA-O 3.45Å; G332-W511 VanDerWaalsContact O-CZ3 3.31Å; G332-W511 WeakPolarHBondContact O-CZ3 3.24Å
333	A	94.4	Very high	89.9	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.179	C	C	.	.			trans	-60.2	131.9	174.5	0	0	0	0	0	111.1	W310 W316 A330 Q481 Y482	W310-A333 HydrophobicContact CB-CB 3.91Å; W310-A333 HydrophobicContact CG-CB 4.47Å; W316-A333 HydrophobicContact CH2-CB 4.16Å; W316-A333 HydrophobicContact CZ2-CB 4.18Å; A330-A333 HydrophobicContact CB-CB 4.27Å; A330-A333 WeakPolarHBondContact O-CB 3.11Å; A330-A333 PolarHBondContact O-N 3.33Å; A333-Q481 CarbonylContact O-C 3.55Å; A333-Q481 VanDerWaalsContact O-CA 3.29Å; A333-Q481 WeakPolarHBondContact O-CA 3.36Å; A333-Q481 WeakPolarHBondContact O-CG 3.21Å; A333-Y482 PolarHBondContact O-N 2.91Å
334	I	96	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133	177.5	-59.7	171.2	0	0	0	108.3	I212 L216 W310 V311 G312 G332 I479 F480 Q481 M509 W511	I212-I334 HydrophobicContact CG2-CD1 4.21Å; I212-I334 HydrophobicContact CG2-CG2 4.4Å; L216-I334 HydrophobicContact CD1-CD1 3.56Å; W310-I334 PolarHBondContact O-N 3.41Å; V311-I334 CarbonylContact C-O 3.26Å; V311-I334 WeakPolarHBondContact CA-O 3.32Å; G312-I334 PolarHBondContact N-O 2.94Å; G332-I334 PolarHBondContact O-N 2.75Å; I334-I479 HydrophobicContact CG2-CG2 3.81Å; I334-F480 CarbonylContact C-O 3.34Å; I334-F480 WeakPolarHBondContact CA-O 3.45Å; I334-Q481 HydrophobicContact CG1-CG 4.28Å; I334-M509 HydrophobicContact CD1-CE 3.59Å; I334-M509 HydrophobicContact CG1-CE 4.19Å; I334-W511 HydrophobicContact CD1-CH2 3.91Å
335	T	95.3	Very high	90.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147	175.1	60.4	0	0	0	0	111	G312 W316 G317 F480 Y492	G312-T335 WeakPolarHBondContact O-CA 3.36Å; W316-T335 HydrophobicContact CB-CG2 4.1Å; W316-T335 HydrophobicContact CD2-CG2 3.75Å; W316-T335 HydrophobicContact CE3-CG2 4.32Å; W316-T335 HydrophobicContact CG-CG2 3.66Å; G317-T335 VanDerWaalsContact O-CB 3.27Å; G317-T335 WeakPolarHBondContact O-CB 3.39Å; G317-T335 PolarHBondContact O-OG1 3.41Å; T335-F480 PolarHBondContact N-O 2.76Å; T335-F480 PolarHBondContact O-N 3.5Å; T335-Y492 HydrophobicContact CG2-CE1 4.27Å
336	I	94.4	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.9	178	65.2	-154.8	0	0	0	110.1	Q205 M209 I212 G312 D314 I479	Q205-I336 HydrophobicContact CG-CD1 3.37Å; Q205-I336 HydrophobicContact CG-CG1 3.99Å; M209-I336 HydrophobicContact CE-CD1 3.89Å; M209-I336 HydrophobicContact CG-CD1 3.34Å; M209-I336 HydrophobicContact SD-CD1 3.73Å; I212-I336 HydrophobicContact CD1-CG2 3.7Å; G312-I336 PolarHBondContact O-N 3.23Å; G312-I336 VanDerWaalsContact O-N 3.15Å; D314-I336 VanDerWaalsContact CA-O 3.31Å; D314-I336 WeakPolarHBondContact CA-O 3.41Å; D314-I336 PolarHBondContact N-O 3.42Å; I336-I479 HydrophobicContact CG2-CG1 4.33Å; I336-I479 HydrophobicContact CG2-CG2 4.45Å
337	Q	91.8	Very high	91.6	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.047	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130	-174.3	-178	161.2	-88.6	0	0	110.3	S318 K339 R340 Y477 D478 F480	S318-Q337 PolarHBondContact OG-NE2 3.23Å; S318-Q337 PolarHBondContact OG-OE1 2.94Å; Q337-K339 PolarHBondContact O-N 3.16Å; Q337-R340 VanDerWaalsContact CD-NH2 3.29Å; Q337-R340 VanDerWaalsContact OE1-CZ 3.28Å; Q337-Y477 CarbonylContact O-C 3.44Å; Q337-Y477 VanDerWaalsContact O-CA 3.24Å; Q337-Y477 WeakPolarHBondContact O-CA 3.31Å; Q337-D478 PolarHBondContact N-O 3.32Å; Q337-D478 PolarHBondContact O-N 3.17Å; Q337-F480 HydrophobicContact CB-CD2 4.29Å; Q337-F480 HydrophobicContact CB-CE2 4.04Å
338	P	90.9	Very high	91.8	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	131	172.2	-26.5	33.8	0	0	0	110.3	D314 R340 F410 R476 Y477	D314-P338 VanDerWaalsContact CB-CD 3.43Å; D314-P338 HydrophobicContact CB-CG 4.09Å; P338-R340 PolarHBondContact O-N 3.27Å; P338-F410 HydrophobicContact CB-CE2 4.22Å; P338-F410 HydrophobicContact CB-CZ 4.01Å; P338-R476 WeakPolarHBondContact CA-O 3.24Å; P338-Y477 HydrophobicContact CG-CD1 4.25Å; P338-Y477 HydrophobicContact CG-CE1 4.05Å
339	K	88.7	Confident	92.1	Very high	76 Å²	76	32.6 Å²	32.6	33%	0.33	19%	0.186	S	C	.	.			trans	-60.9	121.3	-174.2	-174.7	146.4	-175.9	168.9	0	110.5	Q337 R476 D478	Q337-K339 PolarHBondContact O-N 3.16Å; K339-R476 HydrophobicContact CB-CB 4.06Å; K339-R476 PolarHBondContact N-O 3.13Å; K339-D478 WeakPolarHBondContact CA-OD2 3.42Å; K339-D478 WeakPolarHBondContact CG-OD2 3.2Å; K339-D478 IonicContact NZ-OD1 2.8Å
340	R	87.8	Confident	92.3	Very high	66 Å²	66	32.4 Å²	32.4	25%	0.249	19%	0.185	C	C	.	.			trans	-146.9	157.4	-168	64.6	177.6	-175.1	-170.1	4.8	111.9	S318 Q337 P338 G406 F410	S318-R340 PolarHBondContact OG-NH2 2.84Å; Q337-R340 VanDerWaalsContact CD-NH2 3.29Å; Q337-R340 VanDerWaalsContact OE1-CZ 3.28Å; P338-R340 PolarHBondContact O-N 3.27Å; R340-G406 WeakPolarHBondContact CD-O 3.49Å; R340-G406 PolarHBondContact NH1-O 2.6Å; R340-F410 HydrophobicContact CB-CE2 4.4Å; R340-F410 HydrophobicContact CB-CZ 4.2Å
341	A	87.1	Confident	92.5	Very high	46 Å²	46	34.7 Å²	34.7	38%	0.38	20%	0.199	S	C	.	.			trans	-126.9	162.3	168.3	0	0	0	0	0	111.6	A461	A341-A461 HydrophobicContact CB-CB 3.72Å
342	T	89.1	Confident	92.6	Very high	99 Å²	99	35.3 Å²	35.3	61%	0.607	21%	0.208	S	C	*	.			trans	-77.6	131.3	170.1	45	0	0	0	0	110.4	E344 Q404	T342-E344 PolarHBondContact O-N 3.09Å; T342-Q404 HydrophobicContact CG2-CB 4.43Å
343	V	93.1	Very high	92.7	Very high	14 Å²	14	36.7 Å²	36.7	9%	0.085	21%	0.213	C	C	.	.			trans	-92.3	95.5	178.6	-176.6	0	0	0	0	109.4	G345 F346 D347 Q404 Q409 I412	V343-G345 PolarHBondContact O-N 2.91Å; V343-G345 VanDerWaalsContact O-N 3.16Å; V343-F346 HydrophobicContact CB-CB 4.22Å; V343-F346 HydrophobicContact CG1-CB 4.22Å; V343-F346 WeakPolarHBondContact O-CA 3.32Å; V343-F346 WeakPolarHBondContact O-CB 3.48Å; V343-F346 PolarHBondContact O-N 3.38Å; V343-D347 PolarHBondContact O-N 2.7Å; V343-Q404 PolarHBondContact O-NE2 3.4Å; V343-Q409 HydrophobicContact CG2-CB 4.17Å; V343-Q409 HydrophobicContact CG2-CG 4.13Å; V343-I412 HydrophobicContact CB-CD1 4.35Å; V343-I412 HydrophobicContact CG1-CD1 4.12Å; V343-I412 HydrophobicContact CG2-CD1 4.26Å
344	E	92.1	Very high	92.5	Very high	162 Å²	162	37.4 Å²	37.4	76%	0.757	22%	0.218	S	C	*	.	H	α-helix	trans	-54.3	-37	-174.3	-60.3	-178.2	169.5	0	0	113.4	T342 F346 D347 A348	T342-E344 PolarHBondContact O-N 3.09Å; E344-F346 VanDerWaalsContact C-N 3.26Å; E344-F346 PolarHBondContact O-N 3.36Å; E344-D347 PolarHBondContact O-N 3.36Å; E344-D347 VanDerWaalsContact O-N 3.16Å; E344-A348 PolarHBondContact O-N 3.44Å
345	G	92.9	Very high	92.1	Very high	34 Å²	34	39 Å²	39	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-30	176.2	0	0	0	0	0	113.4	V343 Y349	V343-G345 PolarHBondContact O-N 2.91Å; V343-G345 VanDerWaalsContact O-N 3.16Å; G345-Y349 VanDerWaalsContact O-CB 3.28Å; G345-Y349 WeakPolarHBondContact O-CB 3.36Å; G345-Y349 PolarHBondContact O-N 3Å
346	F	95.1	Very high	91.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-74.7	-37.1	172.5	-177.9	-102.4	0	0	0	111.8	H77 E80 A81 Y84 V343 E344 A348 Y349 F350 Q404 V408 I412	H77-F346 VanDerWaalsContact O-CZ 3.3Å; H77-F346 WeakPolarHBondContact O-CZ 3.21Å; E80-F346 HydrophobicContact CB-CE2 4.11Å; E80-F346 HydrophobicContact CB-CZ 4.08Å; A81-F346 HydrophobicContact CB-CD2 4.35Å; A81-F346 HydrophobicContact CB-CE2 3.96Å; A81-F346 HydrophobicContact CB-CZ 4.22Å; Y84-F346 HydrophobicContact CD1-CB 4.19Å; Y84-F346 AromaticContact CD1-CD2 3.85Å; Y84-F346 HydrophobicContact CD1-CD2 3.85Å; Y84-F346 HydrophobicContact CE1-CB 4.14Å; Y84-F346 AromaticContact CG-CD2 3.94Å; Y84-F346 HydrophobicContact CG-CD2 3.94Å; V343-F346 HydrophobicContact CB-CB 4.22Å; V343-F346 HydrophobicContact CG1-CB 4.22Å; V343-F346 WeakPolarHBondContact O-CA 3.32Å; V343-F346 WeakPolarHBondContact O-CB 3.48Å; V343-F346 PolarHBondContact O-N 3.38Å; E344-F346 VanDerWaalsContact C-N 3.26Å; E344-F346 PolarHBondContact O-N 3.36Å; F346-A348 VanDerWaalsContact C-N 3.35Å; F346-A348 PolarHBondContact O-N 2.76Å; F346-Y349 AromaticContact CD2-CD1 3.9Å; F346-Y349 HydrophobicContact CD2-CD1 3.9Å; F346-Y349 AromaticContact CE2-CD1 3.77Å; F346-Y349 HydrophobicContact CE2-CD1 3.77Å; F346-Y349 HydrophobicContact CE2-CE1 4.05Å; F346-Y349 WeakPolarHBondContact O-CB 3.36Å; F346-Y349 PolarHBondContact O-N 3.39Å; F346-F350 HydrophobicContact CD1-CB 4.5Å; F346-F350 HydrophobicContact CE1-CB 4.09Å; F346-F350 HydrophobicContact CE1-CD2 4.17Å; F346-F350 HydrophobicContact CE1-CG 4.29Å; F346-F350 HydrophobicContact CE2-CB 4.46Å; F346-F350 HydrophobicContact CE2-CD2 4.35Å; F346-F350 HydrophobicContact CZ-CB 4.07Å; F346-F350 AromaticContact CZ-CD2 3.64Å; F346-F350 HydrophobicContact CZ-CD2 3.64Å; F346-F350 HydrophobicContact CZ-CE2 4.46Å; F346-F350 HydrophobicContact CZ-CG 4.15Å; F346-F350 VanDerWaalsContact O-CB 3.29Å; F346-F350 WeakPolarHBondContact O-CB 3.36Å; F346-F350 PolarHBondContact O-N 3.05Å; F346-Q404 HydrophobicContact CD1-CG 4.21Å; F346-V408 HydrophobicContact CB-CG1 4.29Å; F346-V408 HydrophobicContact CD1-CG1 3.61Å; F346-V408 HydrophobicContact CD1-CG2 4.26Å; F346-V408 HydrophobicContact CD2-CG1 4.48Å; F346-V408 HydrophobicContact CE1-CG1 4.02Å; F346-V408 HydrophobicContact CE1-CG2 3.87Å; F346-V408 HydrophobicContact CG-CG1 3.85Å; F346-V408 HydrophobicContact CZ-CG2 4.42Å; F346-I412 HydrophobicContact CB-CD1 4.43Å
347	D	94.1	Very high	91.5	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.203	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-45.3	176.5	-60.5	-47.4	0	0	0	110.7	V343 E344 F350 T351 Y402 Q404	V343-D347 PolarHBondContact O-N 2.7Å; E344-D347 PolarHBondContact O-N 3.36Å; E344-D347 VanDerWaalsContact O-N 3.16Å; D347-F350 PolarHBondContact O-N 2.91Å; D347-T351 WeakPolarHBondContact O-CB 3.28Å; D347-T351 WeakPolarHBondContact O-CG2 3.32Å; D347-T351 PolarHBondContact O-N 3.49Å; D347-T351 PolarHBondContact O-OG1 3.39Å; D347-Y402 HydrophobicContact CB-CE1 4.19Å; D347-Y402 WeakPolarHBondContact OD1-CE1 3.42Å; D347-Y402 PolarHBondContact OD1-OH 3.39Å; D347-Q404 WeakPolarHBondContact OD1-CB 3.24Å; D347-Q404 PolarHBondContact OD1-NE2 3.45Å; D347-Q404 PolarHBondContact OD2-NE2 3.24Å; D347-Q404 VanDerWaalsContact OD2-NE2 3.1Å
348	A	94.3	Very high	91.4	Very high	64 Å²	64	50.4 Å²	50.4	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-42.1	173.7	0	0	0	0	0	112.3	E344 F346 S352	E344-A348 PolarHBondContact O-N 3.44Å; F346-A348 VanDerWaalsContact C-N 3.35Å; F346-A348 PolarHBondContact O-N 2.76Å; A348-S352 WeakPolarHBondContact O-CB 3.37Å; A348-S352 PolarHBondContact O-N 3.44Å; A348-S352 PolarHBondContact O-OG 2.61Å
349	Y	94.8	Very high	91.2	Very high	16 Å²	16	59.6 Å²	59.6	6%	0.063	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-47.6	174.6	164	-82.8	0	0	0	111.7	E80 Y84 G345 F346 S352 R353 R360	E80-Y349 HydrophobicContact CB-CE1 4.2Å; E80-Y349 WeakPolarHBondContact OE2-CE1 3.41Å; E80-Y349 PolarHBondContact OE2-OH 3.24Å; Y84-Y349 HydrophobicContact CD2-CD1 4.36Å; Y84-Y349 AromaticContact CD2-CD2 3.48Å; Y84-Y349 HydrophobicContact CD2-CD2 3.48Å; Y84-Y349 VanDerWaalsContact CD2-CD2 3.48Å; Y84-Y349 HydrophobicContact CD2-CE2 4.2Å; Y84-Y349 AromaticContact CD2-CG 3.58Å; Y84-Y349 HydrophobicContact CD2-CG 3.58Å; Y84-Y349 HydrophobicContact CE2-CD2 4.37Å; Y84-Y349 HydrophobicContact CE2-CG 4.35Å; Y84-Y349 HydrophobicContact CG-CD1 4.44Å; Y84-Y349 HydrophobicContact CG-CD2 4.18Å; Y84-Y349 HydrophobicContact CG-CG 4.09Å; G345-Y349 VanDerWaalsContact O-CB 3.28Å; G345-Y349 WeakPolarHBondContact O-CB 3.36Å; G345-Y349 PolarHBondContact O-N 3Å; F346-Y349 AromaticContact CD2-CD1 3.9Å; F346-Y349 HydrophobicContact CD2-CD1 3.9Å; F346-Y349 AromaticContact CE2-CD1 3.77Å; F346-Y349 HydrophobicContact CE2-CD1 3.77Å; F346-Y349 HydrophobicContact CE2-CE1 4.05Å; F346-Y349 WeakPolarHBondContact O-CB 3.36Å; F346-Y349 PolarHBondContact O-N 3.39Å; Y349-S352 PolarHBondContact O-OG 3.07Å; Y349-R353 HydrophobicContact CE1-CG 4.34Å; Y349-R353 VanDerWaalsContact CE2-CZ 3.48Å; Y349-R353 WeakPolarHBondContact O-CG 3.45Å; Y349-R353 PolarHBondContact O-NE 2.82Å; Y349-R360 PolarHBondContact OH-NH2 3.2Å
350	F	94.8	Very high	91.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-79.4	-43.5	-168.9	-169.5	-89.2	0	0	0	111.7	I76 H77 E80 F346 D347 S352 R353 Y367 I396 Y402	I76-F350 HydrophobicContact CG2-CE2 4.2Å; I76-F350 HydrophobicContact CG2-CZ 4.28Å; H77-F350 AromaticContact CD2-CE1 3.82Å; H77-F350 AromaticContact CD2-CE2 3.78Å; H77-F350 AromaticContact CD2-CZ 3.32Å; H77-F350 WeakPolarHBondContact CD2-CZ 3.39Å; H77-F350 AromaticContact NE2-CE1 3.7Å; H77-F350 AromaticContact NE2-CZ 3.64Å; E80-F350 HydrophobicContact CB-CD2 3.93Å; E80-F350 HydrophobicContact CB-CE2 3.98Å; E80-F350 HydrophobicContact CG-CD2 4.16Å; E80-F350 HydrophobicContact CG-CE2 3.86Å; F346-F350 HydrophobicContact CD1-CB 4.5Å; F346-F350 HydrophobicContact CE1-CB 4.09Å; F346-F350 HydrophobicContact CE1-CD2 4.17Å; F346-F350 HydrophobicContact CE1-CG 4.29Å; F346-F350 HydrophobicContact CE2-CB 4.46Å; F346-F350 HydrophobicContact CE2-CD2 4.35Å; F346-F350 HydrophobicContact CZ-CB 4.07Å; F346-F350 AromaticContact CZ-CD2 3.64Å; F346-F350 HydrophobicContact CZ-CD2 3.64Å; F346-F350 HydrophobicContact CZ-CE2 4.46Å; F346-F350 HydrophobicContact CZ-CG 4.15Å; F346-F350 VanDerWaalsContact O-CB 3.29Å; F346-F350 WeakPolarHBondContact O-CB 3.36Å; F346-F350 PolarHBondContact O-N 3.05Å; D347-F350 PolarHBondContact O-N 2.91Å; F350-S352 PolarHBondContact O-N 3.19Å; F350-R353 WeakPolarHBondContact O-CB 3.46Å; F350-R353 PolarHBondContact O-N 3.36Å; F350-Y367 WeakPolarHBondContact CE1-OH 3.42Å; F350-Y367 HydrophobicContact CZ-CE1 4.13Å; F350-Y367 HydrophobicContact CZ-CE2 4.42Å; F350-Y367 AromaticContact CZ-CZ 3.78Å; F350-Y367 WeakPolarHBondContact CZ-OH 3.46Å; F350-I396 HydrophobicContact CD1-CD1 4.27Å; F350-I396 HydrophobicContact CD1-CG2 4.02Å; F350-I396 HydrophobicContact CE1-CD1 3.9Å; F350-I396 HydrophobicContact CE1-CG2 3.92Å; F350-Y402 AromaticContact CD1-CD2 3.88Å; F350-Y402 HydrophobicContact CD1-CD2 3.88Å; F350-Y402 AromaticContact CD1-CE2 3.21Å; F350-Y402 HydrophobicContact CD1-CE2 3.21Å; F350-Y402 AromaticContact CD1-CZ 3.73Å; F350-Y402 AromaticContact CE1-CD2 3.96Å; F350-Y402 HydrophobicContact CE1-CD2 3.96Å; F350-Y402 AromaticContact CE1-CE2 3.54Å; F350-Y402 HydrophobicContact CE1-CE2 3.54Å; F350-Y402 HydrophobicContact CG-CE2 4.04Å
351	T	93.7	Very high	91.4	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.288	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-23.7	175.6	54.2	0	0	0	0	112.9	D347 R353 I396 Y402	D347-T351 WeakPolarHBondContact O-CB 3.28Å; D347-T351 WeakPolarHBondContact O-CG2 3.32Å; D347-T351 PolarHBondContact O-N 3.49Å; D347-T351 PolarHBondContact O-OG1 3.39Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R353 PolarHBondContact O-N 3.2Å; T351-I396 HydrophobicContact CG2-CG2 4.43Å; T351-Y402 HydrophobicContact CG2-CD1 3.84Å; T351-Y402 HydrophobicContact CG2-CE1 4.07Å; T351-Y402 HydrophobicContact CG2-CG 4.34Å
352	S	93.4	Very high	91.6	Very high	58 Å²	58	57.7 Å²	57.7	41%	0.406	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9	173.1	82.5	0	0	0	0	115.6	A348 Y349 F350	A348-S352 WeakPolarHBondContact O-CB 3.37Å; A348-S352 PolarHBondContact O-N 3.44Å; A348-S352 PolarHBondContact O-OG 2.61Å; Y349-S352 PolarHBondContact O-OG 3.07Å; F350-S352 PolarHBondContact O-N 3.19Å
353	R	92.4	Very high	91.8	Very high	31 Å²	31	53.8 Å²	53.8	12%	0.117	28%	0.279	C	S	.	.			trans	-77.7	139	-174.2	-62.3	-70.2	143	-167.8	-0.1	111.9	Y349 F350 T351 N357 F364	Y349-R353 HydrophobicContact CE1-CG 4.34Å; Y349-R353 VanDerWaalsContact CE2-CZ 3.48Å; Y349-R353 WeakPolarHBondContact O-CG 3.45Å; Y349-R353 PolarHBondContact O-NE 2.82Å; F350-R353 WeakPolarHBondContact O-CB 3.46Å; F350-R353 PolarHBondContact O-N 3.36Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R353 PolarHBondContact O-N 3.2Å; R353-N357 PolarHBondContact NH1-OD1 3.37Å; R353-F364 HydrophobicContact CB-CE1 4.24Å; R353-F364 HydrophobicContact CB-CE2 4.12Å; R353-F364 HydrophobicContact CB-CZ 3.54Å
354	T	91	Very high	91.8	Very high	17 Å²	17	53.2 Å²	53.2	10%	0.104	28%	0.276	C	S	.	.			trans	-137.6	163.8	175.7	68.1	0	0	0	0	109.8	E356 N357 N358	T354-E356 PolarHBondContact O-N 3.15Å; T354-E356 VanDerWaalsContact O-N 3.13Å; T354-E356 PolarHBondContact OG1-N 2.89Å; T354-N357 PolarHBondContact O-N 3.02Å; T354-N357 WeakPolarHBondContact OG1-CB 3.48Å; T354-N357 PolarHBondContact OG1-N 2.86Å; T354-N358 PolarHBondContact O-N 3.13Å
355	L	87.9	Confident	91.6	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.4	174.5	-65.5	170.7	0	0	0	114.4	R359 F364 A365 W368 L376	L355-R359 PolarHBondContact O-NE 2.96Å; L355-F364 HydrophobicContact CD2-CD1 4.26Å; L355-A365 HydrophobicContact CD2-CB 4.33Å; L355-W368 HydrophobicContact CD1-CB 4.39Å; L355-W368 HydrophobicContact CD1-CD2 4.01Å; L355-W368 HydrophobicContact CD1-CG 3.78Å; L355-W368 HydrophobicContact CD2-CB 3.81Å; L355-W368 HydrophobicContact CD2-CD2 4.14Å; L355-W368 HydrophobicContact CD2-CE3 4.4Å; L355-W368 HydrophobicContact CD2-CG 3.93Å; L355-W368 HydrophobicContact CG-CB 4.32Å; L355-W368 HydrophobicContact CG-CD2 3.76Å; L355-W368 HydrophobicContact CG-CE3 4.14Å; L355-W368 HydrophobicContact CG-CG 3.87Å; L355-L376 HydrophobicContact CD1-CD1 4.13Å; L355-L376 HydrophobicContact CD1-CD2 3.54Å; L355-L376 HydrophobicContact CD1-CG 4.47Å; L355-L376 HydrophobicContact CD2-CD1 4.33Å
356	E	86.4	Confident	91.5	Very high	156 Å²	156	49.8 Å²	49.8	73%	0.729	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-44.3	175.7	-62	179.1	151.8	0	0	111	T354	T354-E356 PolarHBondContact O-N 3.15Å; T354-E356 VanDerWaalsContact O-N 3.13Å; T354-E356 PolarHBondContact OG1-N 2.89Å
357	N	89.9	Confident	91.3	Very high	90 Å²	90	49.9 Å²	49.9	48%	0.481	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-38.7	-177	-173	7.7	0	0	0	112.5	R353 T354 R359	R353-N357 PolarHBondContact NH1-OD1 3.37Å; T354-N357 PolarHBondContact O-N 3.02Å; T354-N357 WeakPolarHBondContact OG1-CB 3.48Å; T354-N357 PolarHBondContact OG1-N 2.86Å; N357-R359 PolarHBondContact O-N 2.95Å
358	N	89.6	Confident	91.2	Very high	5 Å²	5	48 Å²	48	3%	0.027	25%	0.248	C	C	.	.			trans	-98.5	70.6	-176.5	-163.5	6.9	0	0	0	112.8	E80 T354 R360 N361 F364	E80-N358 PolarHBondContact OE1-ND2 2.81Å; T354-N358 PolarHBondContact O-N 3.13Å; N358-R360 WeakPolarHBondContact OD1-CG 3.42Å; N358-N361 PolarHBondContact OD1-N 2.96Å; N358-F364 HydrophobicContact CB-CD1 3.78Å; N358-F364 HydrophobicContact CB-CE1 3.99Å; N358-F364 HydrophobicContact CB-CG 4.12Å; N358-F364 HydrophobicContact CB-CZ 4.5Å; N358-F364 WeakPolarHBondContact ND2-CD2 3.17Å; N358-F364 VanDerWaalsContact ND2-CG 3.33Å; N358-F364 WeakPolarHBondContact ND2-CG 3.34Å
359	R	86.3	Confident	90.9	Very high	201 Å²	201	46.8 Å²	46.8	76%	0.758	23%	0.231	S	C	*	.			trans	-85.4	-9.7	173.2	-68	-67.2	176.5	121.7	2.7	114.4	L355 N357	L355-R359 PolarHBondContact O-NE 2.96Å; N357-R359 PolarHBondContact O-N 2.95Å
360	R	90.6	Very high	90.6	Very high	68 Å²	68	49.8 Å²	49.8	26%	0.257	25%	0.245	S	C	.	.	S	Bend	trans	-81.1	-29	-178.3	65.1	174.5	178.3	-166	-1.9	114	I43 I45 L83 D87 Y349 N358	I43-R360 WeakPolarHBondContact CG2-O 3.42Å; I45-R360 HydrophobicContact CD1-CB 4.08Å; L83-R360 HydrophobicContact CD1-CG 4.33Å; D87-R360 IonicContact OD1-CZ 3.05Å; D87-R360 IonicContact OD1-NH1 3.42Å; D87-R360 PolarHBondContact OD1-NH1 3.36Å; D87-R360 IonicContact OD1-NH2 3.6Å; D87-R360 IonicContact OD2-CZ 2.81Å; D87-R360 IonicContact OD2-NH1 2.75Å; D87-R360 PolarHBondContact OD2-NH1 2.8Å; D87-R360 IonicContact OD2-NH2 2.68Å; D87-R360 PolarHBondContact OD2-NH2 2.92Å; Y349-R360 PolarHBondContact OH-NH2 3.2Å; N358-R360 WeakPolarHBondContact OD1-CG 3.42Å
361	N	91.7	Very high	90.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.027	25%	0.25	C	C	.	.			trans	-92.7	106.4	176.6	176.8	-0.6	0	0	0	110.2	I43 L79 E80 L83 N358 W363 F364	I43-N361 HydrophobicContact CD1-CB 4.1Å; L79-N361 HydrophobicContact CD2-CB 4.48Å; E80-N361 VanDerWaalsContact OE1-CB 3.27Å; E80-N361 WeakPolarHBondContact OE1-CB 3.48Å; E80-N361 PolarHBondContact OE1-ND2 2.83Å; L83-N361 HydrophobicContact CD1-CB 4.46Å; N358-N361 PolarHBondContact OD1-N 2.96Å; N361-W363 PolarHBondContact O-N 3.12Å; N361-W363 PolarHBondContact OD1-N 3.38Å; N361-F364 HydrophobicContact CB-CB 3.97Å; N361-F364 VanDerWaalsContact O-CB 3.32Å; N361-F364 WeakPolarHBondContact O-CB 3.47Å; N361-F364 PolarHBondContact O-N 3.37Å; N361-F364 VanDerWaalsContact O-N 3.09Å; N361-F364 PolarHBondContact OD1-N 3.29Å
362	V	91.5	Very high	90.1	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.455	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.4	-177.4	-58.9	0	0	0	0	113.3	I43	I43-V362 HydrophobicContact CG1-CG2 4.06Å
363	W	92.7	Very high	89.9	Confident	17 Å²	17	51.9 Å²	51.9	6%	0.064	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.1	179.4	-58.1	-70.3	0	0	0	113.3	H41 I43 V57 H58 I70 I76 L79 D107 N361 A365 E366 Y367	H41-W363 WeakPolarHBondContact O-CZ2 3Å; I43-W363 HydrophobicContact CD1-CE3 3.79Å; I43-W363 HydrophobicContact CD1-CZ3 3.66Å; I43-W363 HydrophobicContact CG1-CE3 4.13Å; I43-W363 HydrophobicContact CG1-CZ3 3.76Å; V57-W363 HydrophobicContact CG1-CB 3.94Å; V57-W363 HydrophobicContact CG1-CD2 3.98Å; V57-W363 HydrophobicContact CG1-CE3 4.33Å; V57-W363 HydrophobicContact CG1-CG 3.82Å; V57-W363 HydrophobicContact CG2-CD2 4.42Å; V57-W363 HydrophobicContact CG2-CE3 4.1Å; V57-W363 HydrophobicContact CG2-CZ3 4.23Å; H58-W363 AromaticContact CE1-CD1 3.68Å; H58-W363 AromaticContact CE1-NE1 3.86Å; I70-W363 HydrophobicContact CD1-CB 4.23Å; I76-W363 HydrophobicContact CD1-CB 3.97Å; L79-W363 HydrophobicContact CD1-CE3 3.66Å; L79-W363 HydrophobicContact CD1-CZ3 3.72Å; D107-W363 HydrophobicContact CB-CH2 4.31Å; D107-W363 HydrophobicContact CB-CZ2 4.05Å; N361-W363 PolarHBondContact O-N 3.12Å; N361-W363 PolarHBondContact OD1-N 3.38Å; W363-A365 VanDerWaalsContact C-N 3.27Å; W363-A365 PolarHBondContact O-N 3Å; W363-E366 PolarHBondContact O-N 3.45Å; W363-Y367 PolarHBondContact O-N 3.06Å
364	F	91.8	Very high	89.7	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-25.2	-178	-164	-102.9	0	0	0	113.3	R353 L355 N358 N361 Y367 W368 I396	R353-F364 HydrophobicContact CB-CE1 4.24Å; R353-F364 HydrophobicContact CB-CE2 4.12Å; R353-F364 HydrophobicContact CB-CZ 3.54Å; L355-F364 HydrophobicContact CD2-CD1 4.26Å; N358-F364 HydrophobicContact CB-CD1 3.78Å; N358-F364 HydrophobicContact CB-CE1 3.99Å; N358-F364 HydrophobicContact CB-CG 4.12Å; N358-F364 HydrophobicContact CB-CZ 4.5Å; N358-F364 WeakPolarHBondContact ND2-CD2 3.17Å; N358-F364 VanDerWaalsContact ND2-CG 3.33Å; N358-F364 WeakPolarHBondContact ND2-CG 3.34Å; N361-F364 HydrophobicContact CB-CB 3.97Å; N361-F364 VanDerWaalsContact O-CB 3.32Å; N361-F364 WeakPolarHBondContact O-CB 3.47Å; N361-F364 PolarHBondContact O-N 3.37Å; N361-F364 VanDerWaalsContact O-N 3.09Å; N361-F364 PolarHBondContact OD1-N 3.29Å; F364-Y367 HydrophobicContact CD2-CD1 4Å; F364-Y367 AromaticContact CE2-CD1 3.81Å; F364-Y367 HydrophobicContact CE2-CD1 3.81Å; F364-Y367 HydrophobicContact CE2-CE1 4.04Å; F364-Y367 HydrophobicContact CZ-CD1 4.35Å; F364-Y367 HydrophobicContact CZ-CE1 4.46Å; F364-W368 HydrophobicContact CD1-CE3 4.49Å; F364-W368 AromaticContact CE1-CE3 3.65Å; F364-W368 HydrophobicContact CE1-CE3 3.65Å; F364-W368 AromaticContact CE1-CZ3 3.84Å; F364-W368 HydrophobicContact CE1-CZ3 3.84Å; F364-W368 AromaticContact CZ-CE3 3.99Å; F364-W368 HydrophobicContact CZ-CE3 3.99Å; F364-W368 HydrophobicContact CZ-CZ3 4.01Å; F364-W368 PolarHBondContact O-N 3.34Å; F364-W368 VanDerWaalsContact O-N 3.08Å; F364-I396 HydrophobicContact CZ-CD1 4.13Å
365	A	89.5	Confident	89.4	Confident	39 Å²	39	54.4 Å²	54.4	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-68.8	-44.8	173.6	0	0	0	0	0	112.1	L355 W363 W368 E369 L376	L355-A365 HydrophobicContact CD2-CB 4.33Å; W363-A365 VanDerWaalsContact C-N 3.27Å; W363-A365 PolarHBondContact O-N 3Å; A365-W368 WeakPolarHBondContact O-CB 3.35Å; A365-W368 PolarHBondContact O-N 3.22Å; A365-E369 PolarHBondContact O-N 2.94Å; A365-L376 HydrophobicContact CB-CD1 4.01Å; A365-L376 WeakPolarHBondContact O-CD1 3.32Å
366	E	90	Very high	89.1	Confident	86 Å²	86	54.5 Å²	54.5	40%	0.402	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-41.5	176.1	-177.9	170.3	-160.8	0	0	111.5	H58 I70 W363 W368 E369 E370	H58-E366 IonicContact CE1-OE2 2.67Å; H58-E366 IonicContact NE2-OE1 3.76Å; H58-E366 IonicContact NE2-OE2 3.57Å; H58-E366 PolarHBondContact NE2-OE2 3.13Å; I70-E366 HydrophobicContact CB-CG 4.31Å; I70-E366 HydrophobicContact CD1-CB 4.03Å; I70-E366 HydrophobicContact CD1-CG 3.85Å; I70-E366 HydrophobicContact CG2-CG 4.22Å; W363-E366 PolarHBondContact O-N 3.45Å; E366-W368 VanDerWaalsContact C-N 3.27Å; E366-W368 PolarHBondContact O-N 2.83Å; E366-E369 PolarHBondContact O-N 2.89Å; E366-E370 PolarHBondContact O-N 3.33Å; E366-E370 VanDerWaalsContact O-N 3.17Å
367	Y	91.4	Very high	88.1	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-40.2	170.2	169.8	-96.6	0	0	0	112.4	R72 I76 F350 W363 F364 N371 I396	R72-Y367 HydrophobicContact CB-CD2 4.2Å; R72-Y367 HydrophobicContact CB-CE2 3.85Å; R72-Y367 HydrophobicContact CG-CD2 3.87Å; R72-Y367 HydrophobicContact CG-CE2 3.85Å; I76-Y367 HydrophobicContact CB-CD2 3.89Å; I76-Y367 HydrophobicContact CB-CE2 4.35Å; I76-Y367 HydrophobicContact CB-CG 4.43Å; I76-Y367 HydrophobicContact CG1-CD2 3.96Å; I76-Y367 HydrophobicContact CG1-CG 4.31Å; I76-Y367 HydrophobicContact CG2-CD1 4.42Å; I76-Y367 HydrophobicContact CG2-CD2 3.75Å; I76-Y367 HydrophobicContact CG2-CE2 4.1Å; I76-Y367 HydrophobicContact CG2-CG 3.94Å; F350-Y367 WeakPolarHBondContact CE1-OH 3.42Å; F350-Y367 HydrophobicContact CZ-CE1 4.13Å; F350-Y367 HydrophobicContact CZ-CE2 4.42Å; F350-Y367 AromaticContact CZ-CZ 3.78Å; F350-Y367 WeakPolarHBondContact CZ-OH 3.46Å; W363-Y367 PolarHBondContact O-N 3.06Å; F364-Y367 HydrophobicContact CD2-CD1 4Å; F364-Y367 AromaticContact CE2-CD1 3.81Å; F364-Y367 HydrophobicContact CE2-CD1 3.81Å; F364-Y367 HydrophobicContact CE2-CE1 4.04Å; F364-Y367 HydrophobicContact CZ-CD1 4.35Å; F364-Y367 HydrophobicContact CZ-CE1 4.46Å; Y367-N371 HydrophobicContact CE1-CB 4.2Å; Y367-N371 HydrophobicContact CE2-CB 4.25Å; Y367-N371 WeakPolarHBondContact O-CB 3.4Å; Y367-N371 PolarHBondContact O-N 2.9Å; Y367-I396 HydrophobicContact CE1-CD1 3.99Å
368	W	90.7	Very high	86.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-39.6	179.9	-159.5	-85.4	0	0	0	112.3	L355 F364 A365 E366 F372 E394 I396	L355-W368 HydrophobicContact CD1-CB 4.39Å; L355-W368 HydrophobicContact CD1-CD2 4.01Å; L355-W368 HydrophobicContact CD1-CG 3.78Å; L355-W368 HydrophobicContact CD2-CB 3.81Å; L355-W368 HydrophobicContact CD2-CD2 4.14Å; L355-W368 HydrophobicContact CD2-CE3 4.4Å; L355-W368 HydrophobicContact CD2-CG 3.93Å; L355-W368 HydrophobicContact CG-CB 4.32Å; L355-W368 HydrophobicContact CG-CD2 3.76Å; L355-W368 HydrophobicContact CG-CE3 4.14Å; L355-W368 HydrophobicContact CG-CG 3.87Å; F364-W368 HydrophobicContact CD1-CE3 4.49Å; F364-W368 AromaticContact CE1-CE3 3.65Å; F364-W368 HydrophobicContact CE1-CE3 3.65Å; F364-W368 AromaticContact CE1-CZ3 3.84Å; F364-W368 HydrophobicContact CE1-CZ3 3.84Å; F364-W368 AromaticContact CZ-CE3 3.99Å; F364-W368 HydrophobicContact CZ-CE3 3.99Å; F364-W368 HydrophobicContact CZ-CZ3 4.01Å; F364-W368 PolarHBondContact O-N 3.34Å; F364-W368 VanDerWaalsContact O-N 3.08Å; A365-W368 WeakPolarHBondContact O-CB 3.35Å; A365-W368 PolarHBondContact O-N 3.22Å; E366-W368 VanDerWaalsContact C-N 3.27Å; E366-W368 PolarHBondContact O-N 2.83Å; W368-F372 AromaticContact CD1-CD2 3.73Å; W368-F372 AromaticContact CD2-CD2 3.82Å; W368-F372 HydrophobicContact CD2-CD2 3.82Å; W368-F372 AromaticContact CD2-CE2 3.58Å; W368-F372 HydrophobicContact CD2-CE2 3.58Å; W368-F372 AromaticContact CE2-CD2 3.71Å; W368-F372 AromaticContact CE2-CE2 3.49Å; W368-F372 VanDerWaalsContact CE2-CE2 3.49Å; W368-F372 HydrophobicContact CE3-CD2 4.48Å; W368-F372 AromaticContact CE3-CE2 3.82Å; W368-F372 HydrophobicContact CE3-CE2 3.82Å; W368-F372 AromaticContact CG-CD2 3.89Å; W368-F372 HydrophobicContact CG-CD2 3.89Å; W368-F372 HydrophobicContact CG-CE2 4.13Å; W368-F372 AromaticContact CH2-CE2 3.95Å; W368-F372 HydrophobicContact CH2-CE2 3.95Å; W368-F372 HydrophobicContact CH2-CZ 4.41Å; W368-F372 HydrophobicContact CZ2-CD2 4.32Å; W368-F372 AromaticContact CZ2-CE2 3.72Å; W368-F372 HydrophobicContact CZ2-CE2 3.72Å; W368-F372 HydrophobicContact CZ2-CZ 4.35Å; W368-F372 AromaticContact CZ3-CE2 3.99Å; W368-F372 HydrophobicContact CZ3-CE2 3.99Å; W368-F372 AromaticContact NE1-CD2 3.63Å; W368-F372 AromaticContact NE1-CE2 3.92Å; W368-F372 WeakPolarHBondContact O-CD2 3.44Å; W368-F372 PolarHBondContact O-N 2.79Å; W368-E394 VanDerWaalsContact CH2-O 3.28Å; W368-E394 WeakPolarHBondContact CH2-O 3.31Å; W368-E394 HydrophobicContact CZ2-CB 3.86Å; W368-E394 WeakPolarHBondContact CZ2-O 3.18Å; W368-E394 PolarHBondContact NE1-OE2 3.35Å; W368-I396 HydrophobicContact CZ3-CD1 4.18Å; W368-I396 HydrophobicContact CZ3-CG1 4.29Å
369	E	89.2	Confident	84.5	Confident	38 Å²	38	59.8 Å²	59.8	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-50.9	175.4	-67.1	-157.8	152.6	0	0	111.7	A365 E366 N373 C374 K375 L376	A365-E369 PolarHBondContact O-N 2.94Å; E366-E369 PolarHBondContact O-N 2.89Å; E369-N373 WeakPolarHBondContact O-CA 3.44Å; E369-N373 PolarHBondContact O-N 2.98Å; E369-C374 CarbonylContact C-O 3.46Å; E369-C374 WeakPolarHBondContact CA-O 3.18Å; E369-C374 WeakPolarHBondContact CB-O 3.45Å; E369-C374 WeakPolarHBondContact CG-O 3.4Å; E369-C374 PolarHBondContact O-N 3.45Å; E369-K375 HydrophobicContact CG-CD 4.35Å; E369-K375 WeakPolarHBondContact OE1-CA 3.4Å; E369-K375 WeakPolarHBondContact OE1-CD 3.47Å; E369-K375 WeakPolarHBondContact OE2-CD 3.39Å; E369-K375 WeakPolarHBondContact OE2-CE 3.2Å; E369-K375 IonicContact OE2-NZ 2.7Å; E369-K375 PolarHBondContact OE2-NZ 3.02Å; E369-L376 HydrophobicContact CG-CB 4.46Å; E369-L376 HydrophobicContact CG-CD1 4.05Å; E369-L376 HydrophobicContact CG-CG 4.08Å; E369-L376 PolarHBondContact OE1-N 3.19Å
370	E	87.7	Confident	82.8	Confident	78 Å²	78	53.8 Å²	53.8	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-71	-30.8	-177.9	177.2	56.8	-152.3	0	0	112.9	I70 R72 E366	I70-E370 HydrophobicContact CG2-CB 3.73Å; I70-E370 HydrophobicContact CG2-CG 3.71Å; R72-E370 HydrophobicContact CG-CG 4.03Å; R72-E370 IonicContact NE-OE1 3.25Å; R72-E370 IonicContact NH2-OE1 2.72Å; E366-E370 PolarHBondContact O-N 3.33Å; E366-E370 VanDerWaalsContact O-N 3.17Å
371	N	89.3	Confident	80.6	Confident	17 Å²	17	55 Å²	55	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-80.3	-29.6	-178.7	-173.6	70.5	0	0	0	113.5	Y367 S400	Y367-N371 HydrophobicContact CE1-CB 4.2Å; Y367-N371 HydrophobicContact CE2-CB 4.25Å; Y367-N371 WeakPolarHBondContact O-CB 3.4Å; Y367-N371 PolarHBondContact O-N 2.9Å; N371-S400 VanDerWaalsContact ND2-CB 3.26Å; N371-S400 WeakPolarHBondContact ND2-CB 3.37Å; N371-S400 PolarHBondContact ND2-OG 3.46Å
372	F	89.7	Confident	78.4	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.035	37%	0.369	C	S	.	.	H	α-helix	trans	-108.6	3.4	180	-64.1	-70.7	0	0	0	113.9	W368 R388 E394 I396 D399	W368-F372 AromaticContact CD1-CD2 3.73Å; W368-F372 AromaticContact CD2-CD2 3.82Å; W368-F372 HydrophobicContact CD2-CD2 3.82Å; W368-F372 AromaticContact CD2-CE2 3.58Å; W368-F372 HydrophobicContact CD2-CE2 3.58Å; W368-F372 AromaticContact CE2-CD2 3.71Å; W368-F372 AromaticContact CE2-CE2 3.49Å; W368-F372 VanDerWaalsContact CE2-CE2 3.49Å; W368-F372 HydrophobicContact CE3-CD2 4.48Å; W368-F372 AromaticContact CE3-CE2 3.82Å; W368-F372 HydrophobicContact CE3-CE2 3.82Å; W368-F372 AromaticContact CG-CD2 3.89Å; W368-F372 HydrophobicContact CG-CD2 3.89Å; W368-F372 HydrophobicContact CG-CE2 4.13Å; W368-F372 AromaticContact CH2-CE2 3.95Å; W368-F372 HydrophobicContact CH2-CE2 3.95Å; W368-F372 HydrophobicContact CH2-CZ 4.41Å; W368-F372 HydrophobicContact CZ2-CD2 4.32Å; W368-F372 AromaticContact CZ2-CE2 3.72Å; W368-F372 HydrophobicContact CZ2-CE2 3.72Å; W368-F372 HydrophobicContact CZ2-CZ 4.35Å; W368-F372 AromaticContact CZ3-CE2 3.99Å; W368-F372 HydrophobicContact CZ3-CE2 3.99Å; W368-F372 AromaticContact NE1-CD2 3.63Å; W368-F372 AromaticContact NE1-CE2 3.92Å; W368-F372 WeakPolarHBondContact O-CD2 3.44Å; W368-F372 PolarHBondContact O-N 2.79Å; F372-R388 PolarHBondContact O-NH1 2.94Å; F372-E394 HydrophobicContact CB-CG 4.4Å; F372-E394 HydrophobicContact CD1-CB 3.8Å; F372-E394 HydrophobicContact CD1-CG 4.1Å; F372-E394 HydrophobicContact CD2-CB 4.04Å; F372-E394 HydrophobicContact CD2-CG 4.46Å; F372-E394 HydrophobicContact CE1-CB 3.72Å; F372-E394 HydrophobicContact CE2-CB 3.98Å; F372-E394 HydrophobicContact CG-CB 3.96Å; F372-E394 HydrophobicContact CG-CG 4.07Å; F372-E394 HydrophobicContact CZ-CB 3.82Å; F372-I396 HydrophobicContact CE2-CG1 4.29Å; F372-I396 HydrophobicContact CZ-CG1 3.9Å; F372-D399 HydrophobicContact CD1-CB 4.39Å; F372-D399 HydrophobicContact CE1-CB 4.03Å
373	N	87.8	Confident	76.3	Confident	124 Å²	124	69.7 Å²	69.7	66%	0.663	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	59.2	-174.1	-70.5	-28.7	0	0	0	111.5	E369	E369-N373 WeakPolarHBondContact O-CA 3.44Å; E369-N373 PolarHBondContact O-N 2.98Å
374	C	88.1	Confident	74.4	Confident	5 Å²	5	77.2 Å²	77.2	3%	0.034	42%	0.421	C	S	.	.			trans	-147	163.2	-178.7	66.1	0	0	0	0	111.9	E369 R388 C390	E369-C374 CarbonylContact C-O 3.46Å; E369-C374 WeakPolarHBondContact CA-O 3.18Å; E369-C374 WeakPolarHBondContact CB-O 3.45Å; E369-C374 WeakPolarHBondContact CG-O 3.4Å; E369-C374 PolarHBondContact O-N 3.45Å; C374-R388 CarbonylContact C-O 3.59Å; C374-R388 WeakPolarHBondContact CA-O 3.15Å; C374-R388 HydrophobicContact CB-CB 4.35Å; C374-R388 HydrophobicContact CB-CG 4.01Å; C374-R388 WeakPolarHBondContact CB-O 3.32Å; C374-C390 HydrophobicContact CB-CB 4.02Å; C374-C390 WeakPolarHBondContact CB-SG 3.32Å; C374-C390 PolarHBondContact O-SG 3.12Å; C374-C390 WeakPolarHBondContact SG-CA 3.29Å; C374-C390 WeakPolarHBondContact SG-CB 3.33Å; C374-C390 CovalentContact SG-SG 2.04Å; C374-C390 PolarHBondContact SG-SG 2.85Å
375	K	85.4	Confident	72.4	Confident	96 Å²	96	84.4 Å²	84.4	42%	0.417	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-112.1	136.7	175.8	-65.7	-55.1	-173	-169.4	0	113	E369 D387 R388 K389 C390	E369-K375 HydrophobicContact CG-CD 4.35Å; E369-K375 WeakPolarHBondContact OE1-CA 3.4Å; E369-K375 WeakPolarHBondContact OE1-CD 3.47Å; E369-K375 WeakPolarHBondContact OE2-CD 3.39Å; E369-K375 WeakPolarHBondContact OE2-CE 3.2Å; E369-K375 IonicContact OE2-NZ 2.7Å; E369-K375 PolarHBondContact OE2-NZ 3.02Å; K375-D387 HydrophobicContact CG-CB 4.02Å; K375-D387 WeakPolarHBondContact CG-OD2 3.21Å; K375-R388 PolarHBondContact N-O 3.38Å; K375-K389 WeakPolarHBondContact O-CA 3.43Å; K375-C390 PolarHBondContact O-N 3.06Å
376	L	81.7	Confident	71	Confident	35 Å²	35	88.5 Å²	88.5	18%	0.183	48%	0.481	C	S	.	.			trans	-84.5	125.8	174.4	-71.4	166.5	0	0	0	109.1	L355 A365 E369 I378 C390	L355-L376 HydrophobicContact CD1-CD1 4.13Å; L355-L376 HydrophobicContact CD1-CD2 3.54Å; L355-L376 HydrophobicContact CD1-CG 4.47Å; L355-L376 HydrophobicContact CD2-CD1 4.33Å; A365-L376 HydrophobicContact CB-CD1 4.01Å; A365-L376 WeakPolarHBondContact O-CD1 3.32Å; E369-L376 HydrophobicContact CG-CB 4.46Å; E369-L376 HydrophobicContact CG-CD1 4.05Å; E369-L376 HydrophobicContact CG-CG 4.08Å; E369-L376 PolarHBondContact OE1-N 3.19Å; L376-I378 HydrophobicContact CB-CG1 4.46Å; L376-I378 PolarHBondContact O-N 2.84Å; L376-C390 HydrophobicContact CD2-CB 3.67Å; L376-C390 HydrophobicContact CG-CB 4.19Å
377	T	65.8	Low	69.8	Low	109 Å²	109	89 Å²	89	67%	0.669	49%	0.487	S	S	*	.			trans	-77.7	69.8	178.8	53	0	0	0	0	111.7	K389	T377-K389 HydrophobicContact CG2-CD 4.13Å; T377-K389 HydrophobicContact CG2-CG 4.27Å
378	I	58.7	Low	69.4	Low	119 Å²	119	95.5 Å²	95.5	61%	0.61	51%	0.511	S	S	*	.			trans	-70.3	132.3	168.3	-63.1	165.5	0	0	0	108.5	L376 G380	L376-I378 HydrophobicContact CB-CG1 4.46Å; L376-I378 PolarHBondContact O-N 2.84Å; I378-G380 VanDerWaalsContact C-N 3.34Å; I378-G380 PolarHBondContact O-N 2.84Å
379	S	44.8	Very low	69.1	Low	133 Å²	133	102 Å²	102	93%	0.93	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	80.7	-174.6	-55.9	0	0	0	0	113
380	G	50.2	Low	68.9	Low	76 Å²	76	101 Å²	101	78%	0.784	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.8	-21.8	172.8	0	0	0	0	0	116.3	I378	I378-G380 VanDerWaalsContact C-N 3.34Å; I378-G380 PolarHBondContact O-N 2.84Å
381	S	45.8	Very low	68.6	Low	92 Å²	92	102 Å²	102	64%	0.643	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-73.2	144.7	179.8	48.9	0	0	0	0	112.6
382	K	45.8	Very low	68.2	Low	206 Å²	206	102.5 Å²	102.5	90%	0.896	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-72.4	136	170.4	-71.7	-179.9	177.7	176.7	0	108.9
383	K	46.2	Very low	67.9	Low	183 Å²	183	109.5 Å²	109.5	80%	0.796	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-74.6	133.6	178.8	-58.9	175.3	-179.1	176.8	0	111
384	E	53.2	Low	68	Low	175 Å²	175	103.9 Å²	103.9	82%	0.818	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-103.9	145	140.8	-65	-167.8	130.8	0	0	107.5	T386	E384-T386 PolarHBondContact O-N 3.27Å
385	D	50.4	Low	68.1	Low	153 Å²	153	108 Å²	108	82%	0.818	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	16.4	-158.3	-136.4	23	0	0	0	113.6
386	T	58.6	Low	68.4	Low	124 Å²	124	103.8 Å²	103.8	76%	0.761	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-19.1	-170.9	48	0	0	0	0	115.2	E384	E384-T386 PolarHBondContact O-N 3.27Å
387	D	65.3	Low	68.6	Low	98 Å²	98	104.4 Å²	104.4	52%	0.524	57%	0.571	S	S	.	*	S	Bend	trans	-82.4	139.6	-172.4	-81.1	1	0	0	0	113.8	K375 K389	K375-D387 HydrophobicContact CG-CB 4.02Å; K375-D387 WeakPolarHBondContact CG-OD2 3.21Å; D387-K389 PolarHBondContact O-N 3.26Å
388	R	83.8	Confident	69.7	Low	137 Å²	137	107.1 Å²	107.1	52%	0.517	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-59.6	130.2	169.8	175.9	-175	173.6	-169	1.3	109.3	F372 C374 K375	F372-R388 PolarHBondContact O-NH1 2.94Å; C374-R388 CarbonylContact C-O 3.59Å; C374-R388 WeakPolarHBondContact CA-O 3.15Å; C374-R388 HydrophobicContact CB-CB 4.35Å; C374-R388 HydrophobicContact CB-CG 4.01Å; C374-R388 WeakPolarHBondContact CB-O 3.32Å; K375-R388 PolarHBondContact N-O 3.38Å
389	K	83.7	Confident	70.9	Confident	135 Å²	135	105.1 Å²	105.1	59%	0.587	56%	0.564	S	S	*	*	B	Isolated β-bridge	trans	-83.4	138.7	172.8	-66.6	169.8	-172.2	161.2	0	110.7	K375 T377 D387	K375-K389 WeakPolarHBondContact O-CA 3.43Å; T377-K389 HydrophobicContact CG2-CD 4.13Å; T377-K389 HydrophobicContact CG2-CG 4.27Å; D387-K389 PolarHBondContact O-N 3.26Å
390	C	84.4	Confident	72.9	Confident	18 Å²	18	99.5 Å²	99.5	12%	0.122	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-71.7	142.8	169.8	-52.5	0	0	0	0	109.9	C374 K375 L376	C374-C390 HydrophobicContact CB-CB 4.02Å; C374-C390 WeakPolarHBondContact CB-SG 3.32Å; C374-C390 PolarHBondContact O-SG 3.12Å; C374-C390 WeakPolarHBondContact SG-CA 3.29Å; C374-C390 WeakPolarHBondContact SG-CB 3.33Å; C374-C390 CovalentContact SG-SG 2.04Å; C374-C390 PolarHBondContact SG-SG 2.85Å; K375-C390 PolarHBondContact O-N 3.06Å; L376-C390 HydrophobicContact CD2-CB 3.67Å; L376-C390 HydrophobicContact CG-CB 4.19Å
391	T	82.6	Confident	74.5	Confident	99 Å²	99	103.6 Å²	103.6	61%	0.607	53%	0.529	S	S	*	.			trans	-100.9	-19.8	-179.2	66	0	0	0	0	113.5	Q393 E394	T391-Q393 PolarHBondContact O-N 3.3Å; T391-Q393 PolarHBondContact OG1-N 3.2Å; T391-Q393 VanDerWaalsContact OG1-N 3.16Å; T391-E394 WeakPolarHBondContact CB-OE1 3.2Å; T391-E394 PolarHBondContact N-OE1 3.25Å; T391-E394 PolarHBondContact N-OE2 2.59Å; T391-E394 PolarHBondContact OG1-OE1 3.34Å; T391-E394 PolarHBondContact OG1-OE2 2.85Å
392	G	80.4	Confident	76.5	Confident	28 Å²	28	101.7 Å²	101.7	29%	0.289	51%	0.508	S	S	.	.	S	Bend	trans	78.9	-7.4	-169.9	0	0	0	0	0	113.5	E394 R395	G392-E394 WeakPolarHBondContact CA-OE2 3.47Å; G392-E394 PolarHBondContact N-OE2 2.91Å; G392-R395 PolarHBondContact O-NH1 2.85Å
393	Q	84.4	Confident	78.4	Confident	154 Å²	154	98.1 Å²	98.1	72%	0.72	49%	0.494	S	S	*	.			trans	-89.3	-9	176.2	-60.3	-168.1	-6.1	0	0	112.9	T391 R395	T391-Q393 PolarHBondContact O-N 3.3Å; T391-Q393 PolarHBondContact OG1-N 3.2Å; T391-Q393 VanDerWaalsContact OG1-N 3.16Å; Q393-R395 VanDerWaalsContact C-NH1 3.34Å; Q393-R395 PolarHBondContact O-NH1 3.47Å
394	E	89	Confident	80.4	Confident	6 Å²	6	90.2 Å²	90.2	3%	0.028	46%	0.46	C	S	.	.			trans	-60.2	147.9	176.1	-56.8	78.5	-159.8	0	0	111.6	W368 F372 T391 G392 D399	W368-E394 VanDerWaalsContact CH2-O 3.28Å; W368-E394 WeakPolarHBondContact CH2-O 3.31Å; W368-E394 HydrophobicContact CZ2-CB 3.86Å; W368-E394 WeakPolarHBondContact CZ2-O 3.18Å; W368-E394 PolarHBondContact NE1-OE2 3.35Å; F372-E394 HydrophobicContact CB-CG 4.4Å; F372-E394 HydrophobicContact CD1-CB 3.8Å; F372-E394 HydrophobicContact CD1-CG 4.1Å; F372-E394 HydrophobicContact CD2-CB 4.04Å; F372-E394 HydrophobicContact CD2-CG 4.46Å; F372-E394 HydrophobicContact CE1-CB 3.72Å; F372-E394 HydrophobicContact CE2-CB 3.98Å; F372-E394 HydrophobicContact CG-CB 3.96Å; F372-E394 HydrophobicContact CG-CG 4.07Å; F372-E394 HydrophobicContact CZ-CB 3.82Å; T391-E394 WeakPolarHBondContact CB-OE1 3.2Å; T391-E394 PolarHBondContact N-OE1 3.25Å; T391-E394 PolarHBondContact N-OE2 2.59Å; T391-E394 PolarHBondContact OG1-OE1 3.34Å; T391-E394 PolarHBondContact OG1-OE2 2.85Å; G392-E394 WeakPolarHBondContact CA-OE2 3.47Å; G392-E394 PolarHBondContact N-OE2 2.91Å; E394-D399 HydrophobicContact CB-CB 4.49Å
395	R	90.7	Very high	82.1	Confident	93 Å²	93	82.4 Å²	82.4	35%	0.351	42%	0.424	S	S	.	.			trans	-132	130	179.1	-62.7	-63.8	177	-100.7	5.9	112	G392 Q393 K398 D399	G392-R395 PolarHBondContact O-NH1 2.85Å; Q393-R395 VanDerWaalsContact C-NH1 3.34Å; Q393-R395 PolarHBondContact O-NH1 3.47Å; R395-K398 HydrophobicContact CB-CB 4.32Å; R395-K398 PolarHBondContact O-N 3.48Å; R395-K398 VanDerWaalsContact O-N 3.17Å; R395-D399 PolarHBondContact N-OD2 3.41Å; R395-D399 PolarHBondContact O-N 3.38Å
396	I	91.1	Very high	83.8	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.031	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-63.6	135.1	178.9	-59.5	169.9	0	0	0	109	F350 T351 F364 Y367 W368 F372 K398 Y402	F350-I396 HydrophobicContact CD1-CD1 4.27Å; F350-I396 HydrophobicContact CD1-CG2 4.02Å; F350-I396 HydrophobicContact CE1-CD1 3.9Å; F350-I396 HydrophobicContact CE1-CG2 3.92Å; T351-I396 HydrophobicContact CG2-CG2 4.43Å; F364-I396 HydrophobicContact CZ-CD1 4.13Å; Y367-I396 HydrophobicContact CE1-CD1 3.99Å; W368-I396 HydrophobicContact CZ3-CD1 4.18Å; W368-I396 HydrophobicContact CZ3-CG1 4.29Å; F372-I396 HydrophobicContact CE2-CG1 4.29Å; F372-I396 HydrophobicContact CZ-CG1 3.9Å; I396-K398 PolarHBondContact O-N 3.28Å; I396-Y402 HydrophobicContact CG2-CD2 3.84Å; I396-Y402 HydrophobicContact CG2-CG 4.07Å
397	G	86.9	Confident	85.3	Confident	48 Å²	48	70.9 Å²	70.9	50%	0.495	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-5.4	-176.4	0	0	0	0	0	114.9	S400	G397-S400 CarbonylContact C-O 3.55Å; G397-S400 VanDerWaalsContact C-O 3.32Å; G397-S400 WeakPolarHBondContact CA-O 3.37Å; G397-S400 PolarHBondContact N-O 3.44Å
398	K	87	Confident	86.7	Confident	167 Å²	167	66.2 Å²	66.2	73%	0.726	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-52.9	174.6	-174.3	-166.3	171.7	-161.8	0	112.3	R395 I396 S400	R395-K398 HydrophobicContact CB-CB 4.32Å; R395-K398 PolarHBondContact O-N 3.48Å; R395-K398 VanDerWaalsContact O-N 3.17Å; I396-K398 PolarHBondContact O-N 3.28Å; K398-S400 PolarHBondContact N-O 2.94Å
399	D	85.4	Confident	87.1	Confident	77 Å²	77	59.7 Å²	59.7	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.9	-179.9	-48.7	-57.7	0	0	0	111.8	F372 E394 R395	F372-D399 HydrophobicContact CD1-CB 4.39Å; F372-D399 HydrophobicContact CE1-CB 4.03Å; E394-D399 HydrophobicContact CB-CB 4.49Å; R395-D399 PolarHBondContact N-OD2 3.41Å; R395-D399 PolarHBondContact O-N 3.38Å
400	S	86	Confident	87.7	Confident	15 Å²	15	54 Å²	54	11%	0.105	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-136.1	152.1	163.3	76.4	0	0	0	0	109.1	N371 G397 K398	N371-S400 VanDerWaalsContact ND2-CB 3.26Å; N371-S400 WeakPolarHBondContact ND2-CB 3.37Å; N371-S400 PolarHBondContact ND2-OG 3.46Å; G397-S400 CarbonylContact C-O 3.55Å; G397-S400 VanDerWaalsContact C-O 3.32Å; G397-S400 WeakPolarHBondContact CA-O 3.37Å; G397-S400 PolarHBondContact N-O 3.44Å; K398-S400 PolarHBondContact N-O 2.94Å
401	N	84.1	Confident	88.3	Confident	161 Å²	161	53.1 Å²	53.1	86%	0.861	28%	0.278	S	S	*	.			trans	-61.9	149.9	165.4	-67.3	2.9	0	0	0	109.7
402	Y	87.7	Confident	88.9	Confident	52 Å²	52	48.5 Å²	48.5	20%	0.204	25%	0.25	C	S	.	.			trans	-142	129.2	173.7	176.6	-107.9	0	0	0	109.4	H77 D347 F350 T351 I396	H77-Y402 AromaticContact CE1-CD2 3.95Å; H77-Y402 AromaticContact CE1-CE2 3.62Å; H77-Y402 AromaticContact NE2-CE2 3.83Å; D347-Y402 HydrophobicContact CB-CE1 4.19Å; D347-Y402 WeakPolarHBondContact OD1-CE1 3.42Å; D347-Y402 PolarHBondContact OD1-OH 3.39Å; F350-Y402 AromaticContact CD1-CD2 3.88Å; F350-Y402 HydrophobicContact CD1-CD2 3.88Å; F350-Y402 AromaticContact CD1-CE2 3.21Å; F350-Y402 HydrophobicContact CD1-CE2 3.21Å; F350-Y402 AromaticContact CD1-CZ 3.73Å; F350-Y402 AromaticContact CE1-CD2 3.96Å; F350-Y402 HydrophobicContact CE1-CD2 3.96Å; F350-Y402 AromaticContact CE1-CE2 3.54Å; F350-Y402 HydrophobicContact CE1-CE2 3.54Å; F350-Y402 HydrophobicContact CG-CE2 4.04Å; T351-Y402 HydrophobicContact CG2-CD1 3.84Å; T351-Y402 HydrophobicContact CG2-CE1 4.07Å; T351-Y402 HydrophobicContact CG2-CG 4.34Å; I396-Y402 HydrophobicContact CG2-CD2 3.84Å; I396-Y402 HydrophobicContact CG2-CG 4.07Å
403	E	86.2	Confident	89.7	Confident	131 Å²	131	47.4 Å²	47.4	61%	0.612	24%	0.237	S	C	*	.			trans	-135.5	136.1	171.5	-170.9	-178.3	154.2	0	0	107	H77 E405	H77-E403 PolarHBondContact CE1-O 2.89Å; E403-E405 PolarHBondContact O-N 2.98Å
404	Q	88.7	Confident	90.3	Very high	18 Å²	18	40 Å²	40	8%	0.084	20%	0.203	C	C	.	.			trans	-69	126.5	-179.3	-167.5	175.8	107.8	0	0	109.9	T342 V343 F346 D347 G406 V408	T342-Q404 HydrophobicContact CG2-CB 4.43Å; V343-Q404 PolarHBondContact O-NE2 3.4Å; F346-Q404 HydrophobicContact CD1-CG 4.21Å; D347-Q404 WeakPolarHBondContact OD1-CB 3.24Å; D347-Q404 PolarHBondContact OD1-NE2 3.45Å; D347-Q404 PolarHBondContact OD2-NE2 3.24Å; D347-Q404 VanDerWaalsContact OD2-NE2 3.1Å; Q404-G406 PolarHBondContact O-N 3.01Å; Q404-G406 VanDerWaalsContact O-N 3.09Å; Q404-V408 HydrophobicContact CG-CB 4.19Å; Q404-V408 HydrophobicContact CG-CG1 4.25Å; Q404-V408 HydrophobicContact CG-CG2 4.25Å
405	E	88.4	Confident	90.7	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.051	20%	0.202	C	C	.	.			trans	-72.6	110.4	175.9	-165.1	-71.7	140.7	0	0	108.3	E73 H77 R78 E403 K407 V408	E73-E405 HydrophobicContact CB-CB 4.21Å; E73-E405 HydrophobicContact CB-CG 4.08Å; H77-E405 HydrophobicContact CB-CB 4.08Å; R78-E405 IonicContact CZ-OE1 2.75Å; R78-E405 IonicContact CZ-OE2 3.56Å; R78-E405 IonicContact NE-OE1 2.76Å; R78-E405 IonicContact NE-OE2 2.79Å; R78-E405 PolarHBondContact NE-OE2 3.23Å; R78-E405 IonicContact NH2-OE1 3.19Å; R78-E405 PolarHBondContact NH2-OE1 3.35Å; R78-E405 IonicContact NH2-OE2 2.75Å; R78-E405 PolarHBondContact NH2-OE2 3.1Å; E403-E405 PolarHBondContact O-N 2.98Å; E405-K407 PolarHBondContact O-N 3.15Å; E405-K407 PolarHBondContact OE1-N 3.13Å; E405-K407 WeakPolarHBondContact OE2-CA 3.48Å; E405-K407 WeakPolarHBondContact OE2-CB 3.21Å; E405-K407 PolarHBondContact OE2-N 2.81Å; E405-V408 WeakPolarHBondContact O-CB 2.99Å; E405-V408 WeakPolarHBondContact O-CG2 3.27Å; E405-V408 PolarHBondContact O-N 2.92Å
406	G	85.6	Confident	91	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	32.6	-170.9	0	0	0	0	0	116.4	R340 Q404	R340-G406 WeakPolarHBondContact CD-O 3.49Å; R340-G406 PolarHBondContact NH1-O 2.6Å; Q404-G406 PolarHBondContact O-N 3.01Å; Q404-G406 VanDerWaalsContact O-N 3.09Å
407	K	90	Very high	91.3	Very high	25 Å²	25	37.5 Å²	37.5	11%	0.109	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	1.5	150.7	-55.8	-163.1	179	-167.2	0	112.3	A180 D314 E405 Q409 F410 V411	A180-K407 HydrophobicContact CB-CD 3.66Å; D314-K407 WeakPolarHBondContact OD2-CE 3.44Å; D314-K407 IonicContact OD2-NZ 3.02Å; D314-K407 PolarHBondContact OD2-NZ 2.81Å; E405-K407 PolarHBondContact O-N 3.15Å; E405-K407 PolarHBondContact OE1-N 3.13Å; E405-K407 WeakPolarHBondContact OE2-CA 3.48Å; E405-K407 WeakPolarHBondContact OE2-CB 3.21Å; E405-K407 PolarHBondContact OE2-N 2.81Å; K407-Q409 VanDerWaalsContact C-N 3.33Å; K407-Q409 PolarHBondContact O-N 3.34Å; K407-F410 HydrophobicContact CB-CD2 4.14Å; K407-F410 HydrophobicContact CG-CD2 4.19Å; K407-F410 PolarHBondContact O-N 2.91Å; K407-F410 VanDerWaalsContact O-N 3.11Å; K407-V411 PolarHBondContact O-N 3.18Å
408	V	93.8	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-49.2	-49.1	167.6	158.9	0	0	0	0	111.8	H77 A81 F346 Q404 E405 F410 V411 I412	H77-V408 HydrophobicContact CB-CG2 4.05Å; A81-V408 HydrophobicContact CB-CB 4.33Å; A81-V408 HydrophobicContact CB-CG1 3.91Å; A81-V408 HydrophobicContact CB-CG2 4.17Å; F346-V408 HydrophobicContact CB-CG1 4.29Å; F346-V408 HydrophobicContact CD1-CG1 3.61Å; F346-V408 HydrophobicContact CD1-CG2 4.26Å; F346-V408 HydrophobicContact CD2-CG1 4.48Å; F346-V408 HydrophobicContact CE1-CG1 4.02Å; F346-V408 HydrophobicContact CE1-CG2 3.87Å; F346-V408 HydrophobicContact CG-CG1 3.85Å; F346-V408 HydrophobicContact CZ-CG2 4.42Å; Q404-V408 HydrophobicContact CG-CB 4.19Å; Q404-V408 HydrophobicContact CG-CG1 4.25Å; Q404-V408 HydrophobicContact CG-CG2 4.25Å; E405-V408 WeakPolarHBondContact O-CB 2.99Å; E405-V408 WeakPolarHBondContact O-CG2 3.27Å; E405-V408 PolarHBondContact O-N 2.92Å; V408-F410 VanDerWaalsContact C-N 3.31Å; V408-F410 PolarHBondContact O-N 2.88Å; V408-V411 WeakPolarHBondContact O-CB 3.21Å; V408-V411 PolarHBondContact O-N 2.99Å; V408-I412 HydrophobicContact CG1-CD1 3.83Å; V408-I412 WeakPolarHBondContact O-CG1 3.38Å; V408-I412 PolarHBondContact O-N 2.94Å
409	Q	93.9	Very high	92.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-54.1	-47.5	176.6	-168.8	-148.4	-51.1	0	0	111.4	V343 K407 V411 I412 D413 S460 A461	V343-Q409 HydrophobicContact CG2-CB 4.17Å; V343-Q409 HydrophobicContact CG2-CG 4.13Å; K407-Q409 VanDerWaalsContact C-N 3.33Å; K407-Q409 PolarHBondContact O-N 3.34Å; Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-V411 PolarHBondContact O-N 2.94Å; Q409-I412 PolarHBondContact O-N 3.08Å; Q409-D413 PolarHBondContact NE2-OD2 2.97Å; Q409-D413 WeakPolarHBondContact O-CB 3.49Å; Q409-D413 PolarHBondContact O-N 3.23Å; Q409-S460 VanDerWaalsContact CG-OG 3.28Å; Q409-S460 WeakPolarHBondContact CG-OG 3.41Å; Q409-A461 HydrophobicContact CG-CB 3.94Å
410	F	94.8	Very high	92.8	Very high	15 Å²	15	25.5 Å²	25.5	7%	0.066	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-26.5	179	-58.1	-54	0	0	0	113.3	Y179 V198 V199 P338 R340 K407 V408 A414	Y179-F410 WeakPolarHBondContact CB-O 3.49Å; Y179-F410 WeakPolarHBondContact O-CB 3.25Å; V198-F410 HydrophobicContact CG2-CB 3.94Å; V198-F410 HydrophobicContact CG2-CD1 4.39Å; V198-F410 VanDerWaalsContact CG2-O 3.25Å; V198-F410 WeakPolarHBondContact CG2-O 3.36Å; V199-F410 HydrophobicContact CG1-CB 4.05Å; V199-F410 HydrophobicContact CG1-CD1 3.88Å; V199-F410 HydrophobicContact CG1-CD2 3.67Å; V199-F410 HydrophobicContact CG1-CE1 4.26Å; V199-F410 HydrophobicContact CG1-CE2 4.08Å; V199-F410 HydrophobicContact CG1-CG 3.58Å; V199-F410 HydrophobicContact CG1-CZ 4.36Å; P338-F410 HydrophobicContact CB-CE2 4.22Å; P338-F410 HydrophobicContact CB-CZ 4.01Å; R340-F410 HydrophobicContact CB-CE2 4.4Å; R340-F410 HydrophobicContact CB-CZ 4.2Å; K407-F410 HydrophobicContact CB-CD2 4.14Å; K407-F410 HydrophobicContact CG-CD2 4.19Å; K407-F410 PolarHBondContact O-N 2.91Å; K407-F410 VanDerWaalsContact O-N 3.11Å; V408-F410 VanDerWaalsContact C-N 3.31Å; V408-F410 PolarHBondContact O-N 2.88Å; F410-A414 VanDerWaalsContact O-CB 3.22Å; F410-A414 WeakPolarHBondContact O-CB 3.43Å; F410-A414 PolarHBondContact O-N 2.95Å; F410-A414 VanDerWaalsContact O-N 3.11Å
411	V	96.8	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.6	-49.1	170.1	-179.4	0	0	0	0	110.2	F55 R78 A81 M82 Y179 K407 V408 Q409 A414 V415	F55-V411 HydrophobicContact CE1-CG1 3.95Å; F55-V411 HydrophobicContact CE1-CG2 4.14Å; F55-V411 HydrophobicContact CZ-CG1 4.08Å; R78-V411 HydrophobicContact CB-CG2 3.96Å; R78-V411 HydrophobicContact CG-CG2 4.26Å; A81-V411 HydrophobicContact CB-CB 4.1Å; A81-V411 HydrophobicContact CB-CG1 4.16Å; M82-V411 HydrophobicContact CB-CG1 3.93Å; Y179-V411 HydrophobicContact CD1-CG2 3.99Å; Y179-V411 HydrophobicContact CD2-CG2 3.73Å; Y179-V411 HydrophobicContact CE1-CG2 4.43Å; Y179-V411 HydrophobicContact CE2-CG2 4.24Å; Y179-V411 HydrophobicContact CG-CG2 3.63Å; K407-V411 PolarHBondContact O-N 3.18Å; V408-V411 WeakPolarHBondContact O-CB 3.21Å; V408-V411 PolarHBondContact O-N 2.99Å; Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-V411 PolarHBondContact O-N 2.94Å; V411-A414 PolarHBondContact O-N 3.28Å; V411-V415 WeakPolarHBondContact O-CG2 3.3Å; V411-V415 PolarHBondContact O-N 2.79Å; V411-V415 VanDerWaalsContact O-N 3.08Å
412	I	96.5	Very high	93.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-59.4	-51.5	179.8	-64.4	166.6	0	0	0	109.6	A81 Y84 A85 V343 F346 V408 Q409 A414 V415 Y416	A81-I412 HydrophobicContact CB-CG1 4.14Å; Y84-I412 HydrophobicContact CD1-CD1 3.88Å; Y84-I412 HydrophobicContact CD1-CG1 4.33Å; Y84-I412 HydrophobicContact CE1-CD1 4.02Å; A85-I412 HydrophobicContact CB-CG1 4.41Å; A85-I412 HydrophobicContact CB-CG2 4.25Å; V343-I412 HydrophobicContact CB-CD1 4.35Å; V343-I412 HydrophobicContact CG1-CD1 4.12Å; V343-I412 HydrophobicContact CG2-CD1 4.26Å; F346-I412 HydrophobicContact CB-CD1 4.43Å; V408-I412 HydrophobicContact CG1-CD1 3.83Å; V408-I412 WeakPolarHBondContact O-CG1 3.38Å; V408-I412 PolarHBondContact O-N 2.94Å; Q409-I412 PolarHBondContact O-N 3.08Å; I412-A414 VanDerWaalsContact C-N 3.27Å; I412-A414 PolarHBondContact O-N 3.04Å; I412-V415 PolarHBondContact O-N 3.5Å; I412-V415 VanDerWaalsContact O-N 3.09Å; I412-Y416 HydrophobicContact CG2-CD2 3.68Å; I412-Y416 HydrophobicContact CG2-CE2 3.79Å; I412-Y416 WeakPolarHBondContact O-CD2 3.43Å; I412-Y416 PolarHBondContact O-N 3.05Å
413	D	96.1	Very high	94.3	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-32.3	-179.7	-67.8	-8.7	0	0	0	112.3	Q409 A417 G459 S460 V465	Q409-D413 PolarHBondContact NE2-OD2 2.97Å; Q409-D413 WeakPolarHBondContact O-CB 3.49Å; Q409-D413 PolarHBondContact O-N 3.23Å; D413-A417 VanDerWaalsContact O-CB 3.3Å; D413-A417 WeakPolarHBondContact O-CB 3.49Å; D413-A417 PolarHBondContact O-N 3.42Å; D413-G459 WeakPolarHBondContact OD1-CA 3.35Å; D413-S460 WeakPolarHBondContact OD1-CB 3.18Å; D413-S460 PolarHBondContact OD1-N 3.2Å; D413-S460 PolarHBondContact OD1-OG 2.94Å; D413-V465 HydrophobicContact CB-CG2 3.92Å
414	A	97.3	Very high	94.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70	-38.3	173.3	0	0	0	0	0	113.2	I154 I177 V198 F410 V411 I412 A417 M418	I154-A414 HydrophobicContact CD1-CB 4.45Å; I154-A414 HydrophobicContact CG2-CB 4.18Å; I177-A414 HydrophobicContact CG2-CB 3.8Å; V198-A414 HydrophobicContact CG1-CB 4.28Å; V198-A414 HydrophobicContact CG2-CB 4.02Å; F410-A414 VanDerWaalsContact O-CB 3.22Å; F410-A414 WeakPolarHBondContact O-CB 3.43Å; F410-A414 PolarHBondContact O-N 2.95Å; F410-A414 VanDerWaalsContact O-N 3.11Å; V411-A414 PolarHBondContact O-N 3.28Å; I412-A414 VanDerWaalsContact C-N 3.27Å; I412-A414 PolarHBondContact O-N 3.04Å; A414-A417 PolarHBondContact O-N 2.75Å; A414-M418 PolarHBondContact O-N 3.35Å
415	V	97.6	Very high	95	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-68.7	-43.8	174.6	-179.7	0	0	0	0	110.3	M82 A85 L86 I89 I154 V411 I412 A417 M418 A419	M82-V415 HydrophobicContact CB-CG2 4.32Å; M82-V415 HydrophobicContact CG-CG2 3.9Å; A85-V415 HydrophobicContact CB-CB 3.88Å; A85-V415 HydrophobicContact CB-CG1 3.9Å; A85-V415 HydrophobicContact CB-CG2 4.26Å; L86-V415 HydrophobicContact CD2-CG1 4.3Å; L86-V415 HydrophobicContact CG-CG1 4.43Å; I89-V415 HydrophobicContact CD1-CG1 3.73Å; I154-V415 HydrophobicContact CG1-CG2 4.23Å; I154-V415 HydrophobicContact CG2-CG2 4.32Å; V411-V415 WeakPolarHBondContact O-CG2 3.3Å; V411-V415 PolarHBondContact O-N 2.79Å; V411-V415 VanDerWaalsContact O-N 3.08Å; I412-V415 PolarHBondContact O-N 3.5Å; I412-V415 VanDerWaalsContact O-N 3.09Å; V415-A417 VanDerWaalsContact C-N 3.34Å; V415-A417 PolarHBondContact O-N 3.14Å; V415-M418 WeakPolarHBondContact O-CB 3.21Å; V415-M418 PolarHBondContact O-N 3.16Å; V415-A419 PolarHBondContact O-N 3.06Å
416	Y	97.1	Very high	95.2	Very high	51 Å²	51	12.5 Å²	12.5	20%	0.2	6%	0.059	C	C	.	.	H	α-helix	trans	-62.3	-38.2	174	-88.9	-88.7	0	0	0	112.3	A85 Q88 I89 L95 I412 M418 A419 H420	A85-Y416 HydrophobicContact CB-CE2 4.4Å; Q88-Y416 WeakPolarHBondContact CB-OH 3.17Å; I89-Y416 HydrophobicContact CD1-CD1 4.23Å; I89-Y416 HydrophobicContact CD1-CD2 4.06Å; I89-Y416 HydrophobicContact CD1-CE1 4.27Å; I89-Y416 HydrophobicContact CD1-CE2 4.11Å; I89-Y416 HydrophobicContact CD1-CG 4.13Å; I89-Y416 HydrophobicContact CG1-CD1 4.07Å; I89-Y416 HydrophobicContact CG1-CD2 4.39Å; I89-Y416 HydrophobicContact CG1-CE1 3.67Å; I89-Y416 HydrophobicContact CG1-CE2 4.02Å; I89-Y416 HydrophobicContact CG1-CG 4.42Å; L95-Y416 HydrophobicContact CD2-CD1 3.9Å; L95-Y416 HydrophobicContact CD2-CE1 3.92Å; I412-Y416 HydrophobicContact CG2-CD2 3.68Å; I412-Y416 HydrophobicContact CG2-CE2 3.79Å; I412-Y416 WeakPolarHBondContact O-CD2 3.43Å; I412-Y416 PolarHBondContact O-N 3.05Å; Y416-M418 VanDerWaalsContact C-N 3.32Å; Y416-M418 PolarHBondContact O-N 3.11Å; Y416-A419 PolarHBondContact O-N 3.33Å; Y416-H420 WeakPolarHBondContact O-CB 3.38Å; Y416-H420 PolarHBondContact O-CD2 3.14Å; Y416-H420 PolarHBondContact O-N 2.67Å
417	A	97.4	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.7	-40.9	174.3	0	0	0	0	0	112.2	I177 D413 A414 V415 A421 V455 F457 V465 F467	I177-A417 HydrophobicContact CD1-CB 4.25Å; D413-A417 VanDerWaalsContact O-CB 3.3Å; D413-A417 WeakPolarHBondContact O-CB 3.49Å; D413-A417 PolarHBondContact O-N 3.42Å; A414-A417 PolarHBondContact O-N 2.75Å; V415-A417 VanDerWaalsContact C-N 3.34Å; V415-A417 PolarHBondContact O-N 3.14Å; A417-A421 WeakPolarHBondContact O-CB 3.37Å; A417-A421 PolarHBondContact O-N 3.02Å; A417-V455 HydrophobicContact CB-CG2 4.24Å; A417-F457 HydrophobicContact CB-CE1 3.93Å; A417-F457 HydrophobicContact CB-CZ 4.09Å; A417-V465 HydrophobicContact CB-CG1 4.5Å; A417-F467 HydrophobicContact CB-CE2 4.33Å; A417-F467 HydrophobicContact CB-CZ 4.18Å
418	M	97.4	Very high	95.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.2	-42.6	173.1	-170.7	66	72.1	0	0	111.7	L51 I154 I177 A414 V415 Y416 A421 L422 L448 I452	L51-M418 HydrophobicContact CD1-CB 4.4Å; L51-M418 HydrophobicContact CD1-CG 3.96Å; L51-M418 HydrophobicContact CD2-CG 3.67Å; L51-M418 HydrophobicContact CD2-SD 4.48Å; L51-M418 HydrophobicContact CG-CG 4.5Å; I154-M418 HydrophobicContact CD1-CB 4.25Å; I154-M418 HydrophobicContact CD1-CE 4.21Å; I177-M418 HydrophobicContact CD1-CB 4.3Å; I177-M418 HydrophobicContact CD1-CE 3.81Å; I177-M418 HydrophobicContact CG1-CE 4.01Å; A414-M418 PolarHBondContact O-N 3.35Å; V415-M418 WeakPolarHBondContact O-CB 3.21Å; V415-M418 PolarHBondContact O-N 3.16Å; Y416-M418 VanDerWaalsContact C-N 3.32Å; Y416-M418 PolarHBondContact O-N 3.11Å; M418-A421 PolarHBondContact O-N 2.87Å; M418-L422 HydrophobicContact CG-CD1 4.1Å; M418-L422 WeakPolarHBondContact O-CB 3.32Å; M418-L422 VanDerWaalsContact O-CG 3.31Å; M418-L422 WeakPolarHBondContact O-CG 3.31Å; M418-L422 PolarHBondContact O-N 2.97Å; M418-L448 HydrophobicContact SD-CD2 4.15Å; M418-I452 HydrophobicContact CE-CD1 3.93Å; M418-I452 HydrophobicContact SD-CD1 3.84Å; M418-I452 HydrophobicContact SD-CG1 4.39Å
419	A	97.1	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-42.3	179.1	0	0	0	0	0	113	I89 L95 L96 L101 V415 Y416 L422 H423	I89-A419 HydrophobicContact CD1-CB 3.84Å; I89-A419 HydrophobicContact CG1-CB 4.42Å; I89-A419 HydrophobicContact CG2-CB 4.03Å; L95-A419 HydrophobicContact CD2-CB 4.05Å; L95-A419 HydrophobicContact CG-CB 4.43Å; L96-A419 HydrophobicContact CD1-CB 4.04Å; L101-A419 HydrophobicContact CD1-CB 4.01Å; V415-A419 PolarHBondContact O-N 3.06Å; Y416-A419 PolarHBondContact O-N 3.33Å; A419-L422 PolarHBondContact O-N 3.48Å; A419-H423 WeakPolarHBondContact O-CB 3.21Å; A419-H423 PolarHBondContact O-N 3.19Å
420	H	96.9	Very high	95.3	Very high	40 Å²	40	23.4 Å²	23.4	19%	0.185	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-40.7	173	-79.8	-69	0	0	0	111.8	Y416 H423 H424 V455 F457	Y416-H420 WeakPolarHBondContact O-CB 3.38Å; Y416-H420 PolarHBondContact O-CD2 3.14Å; Y416-H420 PolarHBondContact O-N 2.67Å; H420-H423 PolarHBondContact O-N 2.87Å; H420-H424 VanDerWaalsContact O-CG 3.31Å; H420-H424 PolarHBondContact O-N 2.9Å; H420-V455 HydrophobicContact CB-CG1 4.12Å; H420-F457 HydrophobicContact CB-CD1 4.48Å; H420-F457 AromaticContact CD2-CD1 3.67Å; H420-F457 AromaticContact CD2-CD2 3.55Å; H420-F457 AromaticContact CD2-CE1 3.96Å; H420-F457 AromaticContact CD2-CE2 3.85Å; H420-F457 AromaticContact CD2-CG 3.47Å; H420-F457 VanDerWaalsContact CD2-CG 3.47Å; H420-F457 WeakPolarHBondContact CD2-CG 3.45Å; H420-F457 AromaticContact NE2-CD2 3.53Å; H420-F457 AromaticContact NE2-CG 3.66Å
421	A	97.1	Very high	94.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-45.7	174.8	0	0	0	0	0	112.3	A417 M418 H423 H424 M425 L448 Y451 I452 V455	A417-A421 WeakPolarHBondContact O-CB 3.37Å; A417-A421 PolarHBondContact O-N 3.02Å; M418-A421 PolarHBondContact O-N 2.87Å; A421-H423 VanDerWaalsContact C-N 3.32Å; A421-H423 PolarHBondContact O-N 3.49Å; A421-H424 PolarHBondContact O-N 3.44Å; A421-M425 WeakPolarHBondContact O-CB 3.45Å; A421-M425 PolarHBondContact O-N 3.14Å; A421-L448 HydrophobicContact CB-CD1 4.15Å; A421-Y451 WeakPolarHBondContact O-CB 3.28Å; A421-I452 HydrophobicContact CB-CB 4.31Å; A421-I452 HydrophobicContact CB-CG1 3.57Å; A421-V455 HydrophobicContact CB-CG1 3.98Å
422	L	95.6	Very high	93.9	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-36.9	174.3	-72.4	167.1	0	0	0	111.9	V49 L51 L96 L101 M418 A419 M425 N426 M440 L448	V49-L422 HydrophobicContact CG1-CD1 4.05Å; V49-L422 HydrophobicContact CG1-CD2 4.45Å; L51-L422 HydrophobicContact CD2-CD1 4.37Å; L96-L422 HydrophobicContact CD1-CB 4.3Å; L96-L422 HydrophobicContact CD2-CB 4Å; L101-L422 HydrophobicContact CD2-CD1 3.96Å; M418-L422 HydrophobicContact CG-CD1 4.1Å; M418-L422 WeakPolarHBondContact O-CB 3.32Å; M418-L422 VanDerWaalsContact O-CG 3.31Å; M418-L422 WeakPolarHBondContact O-CG 3.31Å; M418-L422 PolarHBondContact O-N 2.97Å; A419-L422 PolarHBondContact O-N 3.48Å; L422-M425 HydrophobicContact CD2-CE 4.46Å; L422-M425 PolarHBondContact O-N 3.05Å; L422-N426 VanDerWaalsContact O-CB 3.22Å; L422-N426 WeakPolarHBondContact O-CB 3.31Å; L422-N426 PolarHBondContact O-N 2.75Å; L422-M440 HydrophobicContact CB-CE 4.17Å; L422-M440 HydrophobicContact CD2-CE 3.79Å; L422-M440 WeakPolarHBondContact O-CE 3.4Å; L422-L448 HydrophobicContact CD2-CD1 3.76Å; L422-L448 HydrophobicContact CD2-CD2 4.11Å; L422-L448 HydrophobicContact CG-CD1 4.09Å
423	H	95.2	Very high	93.2	Very high	17 Å²	17	41.3 Å²	41.3	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-39.7	179.1	-178.2	66.5	0	0	0	112.7	N94 L95 L96 P97 A419 H420 A421 N426 K427	N94-H423 PolarHBondContact O-NE2 2.82Å; L95-H423 HydrophobicContact CD1-CB 3.7Å; L96-H423 WeakPolarHBondContact CA-CE1 3.39Å; L96-H423 HydrophobicContact CD2-CB 4.02Å; L96-H423 HydrophobicContact CG-CB 4.12Å; L96-H423 PolarHBondContact N-CE1 2.81Å; L96-H423 PolarHBondContact N-ND1 3.37Å; L96-H423 VanDerWaalsContact N-ND1 3.15Å; P97-H423 VanDerWaalsContact CD-CE1 3.45Å; P97-H423 WeakPolarHBondContact CD-CE1 3.15Å; P97-H423 WeakPolarHBondContact CD-NE2 3.39Å; A419-H423 WeakPolarHBondContact O-CB 3.21Å; A419-H423 PolarHBondContact O-N 3.19Å; H420-H423 PolarHBondContact O-N 2.87Å; A421-H423 VanDerWaalsContact C-N 3.32Å; A421-H423 PolarHBondContact O-N 3.49Å; H423-N426 PolarHBondContact O-N 2.96Å; H423-K427 WeakPolarHBondContact O-CB 3.31Å; H423-K427 PolarHBondContact O-N 3.35Å
424	H	95.2	Very high	92.5	Very high	71 Å²	71	51.4 Å²	51.4	33%	0.329	25%	0.248	S	C	.	.	H	α-helix	trans	-68.2	-42.4	172.6	-64.4	174.5	0	0	0	110.8	H420 A421 N426 K427 D428 Y451	H420-H424 VanDerWaalsContact O-CG 3.31Å; H420-H424 PolarHBondContact O-N 2.9Å; A421-H424 PolarHBondContact O-N 3.44Å; H424-N426 VanDerWaalsContact C-N 3.3Å; H424-N426 PolarHBondContact O-N 3Å; H424-K427 PolarHBondContact O-N 3.16Å; H424-D428 WeakPolarHBondContact O-CB 3.42Å; H424-D428 PolarHBondContact O-N 2.68Å; H424-Y451 HydrophobicContact CB-CD1 3.72Å; H424-Y451 HydrophobicContact CB-CE1 4.18Å
425	M	94.4	Very high	92	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.039	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-34.2	174.4	-167	166.4	87.1	0	0	112.9	A421 L422 L429 M440 A443 L448 Y451	A421-M425 WeakPolarHBondContact O-CB 3.45Å; A421-M425 PolarHBondContact O-N 3.14Å; L422-M425 HydrophobicContact CD2-CE 4.46Å; L422-M425 PolarHBondContact O-N 3.05Å; M425-L429 HydrophobicContact CG-CD1 3.67Å; M425-L429 HydrophobicContact CG-CG 4.33Å; M425-L429 WeakPolarHBondContact O-CB 3.36Å; M425-L429 VanDerWaalsContact O-CG 3.24Å; M425-L429 WeakPolarHBondContact O-CG 3.42Å; M425-L429 PolarHBondContact O-N 2.95Å; M425-L429 HydrophobicContact SD-CD1 4.48Å; M425-M440 HydrophobicContact CE-CE 4.12Å; M425-M440 HydrophobicContact CE-CG 3.62Å; M425-A443 HydrophobicContact CE-CB 3.94Å; M425-A443 HydrophobicContact SD-CB 3.95Å; M425-L448 HydrophobicContact CE-CB 4.39Å; M425-L448 HydrophobicContact CE-CD1 4.3Å; M425-L448 HydrophobicContact SD-CB 4.1Å; M425-L448 HydrophobicContact SD-CD1 4.26Å; M425-Y451 HydrophobicContact CB-CD1 4.4Å; M425-Y451 HydrophobicContact CB-CD2 3.64Å; M425-Y451 HydrophobicContact CB-CE2 3.76Å; M425-Y451 HydrophobicContact CB-CG 3.99Å; M425-Y451 HydrophobicContact CG-CD2 3.78Å; M425-Y451 HydrophobicContact CG-CE2 3.59Å; M425-Y451 HydrophobicContact SD-CD2 3.92Å; M425-Y451 HydrophobicContact SD-CE2 4.08Å
426	N	93.1	Very high	91.5	Very high	15 Å²	15	53.7 Å²	53.7	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-67.7	-50.9	174.2	-171.8	-12.7	0	0	0	110.5	L422 H423 H424 D428 L429 C430 M440	L422-N426 VanDerWaalsContact O-CB 3.22Å; L422-N426 WeakPolarHBondContact O-CB 3.31Å; L422-N426 PolarHBondContact O-N 2.75Å; H423-N426 PolarHBondContact O-N 2.96Å; H424-N426 VanDerWaalsContact C-N 3.3Å; H424-N426 PolarHBondContact O-N 3Å; N426-D428 VanDerWaalsContact C-N 3.32Å; N426-D428 PolarHBondContact O-N 3.23Å; N426-L429 PolarHBondContact O-N 2.97Å; N426-C430 WeakPolarHBondContact O-CA 3.47Å; N426-C430 VanDerWaalsContact O-CB 3.25Å; N426-C430 WeakPolarHBondContact O-CB 3.45Å; N426-C430 PolarHBondContact O-N 3.39Å; N426-C430 VanDerWaalsContact OD1-CB 3.28Å; N426-C430 WeakPolarHBondContact OD1-CB 3.5Å; N426-M440 HydrophobicContact CB-CE 4.05Å; N426-M440 HydrophobicContact CB-SD 3.92Å
427	K	91.6	Very high	91.2	Very high	124 Å²	124	51.6 Å²	51.6	54%	0.539	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-39.7	176.7	-80.9	175	165.2	167.9	0	113.6	H423 H424	H423-K427 WeakPolarHBondContact O-CB 3.31Å; H423-K427 PolarHBondContact O-N 3.35Å; H424-K427 PolarHBondContact O-N 3.16Å
428	D	92.7	Very high	90.8	Very high	104 Å²	104	54.7 Å²	54.7	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-74	-31.1	-178.6	-81.3	17.9	0	0	0	114	H424 N426 Y451	H424-D428 WeakPolarHBondContact O-CB 3.42Å; H424-D428 PolarHBondContact O-N 2.68Å; N426-D428 VanDerWaalsContact C-N 3.32Å; N426-D428 PolarHBondContact O-N 3.23Å; D428-Y451 HydrophobicContact CB-CE1 4.37Å; D428-Y451 VanDerWaalsContact CB-OH 3.31Å; D428-Y451 WeakPolarHBondContact CB-OH 3.33Å; D428-Y451 WeakPolarHBondContact OD2-CE1 3.33Å; D428-Y451 VanDerWaalsContact OD2-CZ 3.3Å; D428-Y451 PolarHBondContact OD2-OH 3.29Å
429	L	91.4	Very high	90.4	Very high	31 Å²	31	60.4 Å²	60.4	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-112.9	-21.4	-169.9	-54.4	-176.4	0	0	0	114.4	M425 N426 C437 E439 A443 K447	M425-L429 HydrophobicContact CG-CD1 3.67Å; M425-L429 HydrophobicContact CG-CG 4.33Å; M425-L429 WeakPolarHBondContact O-CB 3.36Å; M425-L429 VanDerWaalsContact O-CG 3.24Å; M425-L429 WeakPolarHBondContact O-CG 3.42Å; M425-L429 PolarHBondContact O-N 2.95Å; M425-L429 HydrophobicContact SD-CD1 4.48Å; N426-L429 PolarHBondContact O-N 2.97Å; L429-C437 PolarHBondContact O-SG 2.79Å; L429-C437 VanDerWaalsContact O-SG 3.42Å; L429-E439 HydrophobicContact CB-CB 4.4Å; L429-A443 HydrophobicContact CD1-CB 4.23Å; L429-K447 HydrophobicContact CD1-CD 4.2Å; L429-K447 VanDerWaalsContact CD1-NZ 3.3Å
430	C	89.6	Confident	90.1	Very high	6 Å²	6	61 Å²	61	4%	0.041	31%	0.306	C	S	.	.			trans	-123.8	29.6	-170.9	-51.6	0	0	0	0	111.8	N426 D432 Y433 C437	N426-C430 WeakPolarHBondContact O-CA 3.47Å; N426-C430 VanDerWaalsContact O-CB 3.25Å; N426-C430 WeakPolarHBondContact O-CB 3.45Å; N426-C430 PolarHBondContact O-N 3.39Å; N426-C430 VanDerWaalsContact OD1-CB 3.28Å; N426-C430 WeakPolarHBondContact OD1-CB 3.5Å; C430-D432 PolarHBondContact O-N 3.23Å; C430-D432 VanDerWaalsContact O-N 3.07Å; C430-Y433 PolarHBondContact O-N 2.72Å; C430-C437 WeakPolarHBondContact CA-SG 3.5Å; C430-C437 HydrophobicContact CB-CB 3.65Å; C430-C437 WeakPolarHBondContact CB-SG 3.4Å; C430-C437 WeakPolarHBondContact SG-CB 3.49Å; C430-C437 PolarHBondContact SG-N 2.87Å; C430-C437 VanDerWaalsContact SG-N 3.44Å; C430-C437 CovalentContact SG-SG 2.04Å; C430-C437 PolarHBondContact SG-SG 2.75Å
431	A	80.5	Confident	89.5	Confident	84 Å²	84	64.6 Å²	64.6	69%	0.694	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-35.8	-171	0	0	0	0	0	115
432	D	81.8	Confident	88.9	Confident	173 Å²	173	72.1 Å²	72.1	93%	0.925	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	2.7	177.7	-64.7	-55.6	0	0	0	114.1	C430	C430-D432 PolarHBondContact O-N 3.23Å; C430-D432 VanDerWaalsContact O-N 3.07Å
433	Y	82	Confident	88.3	Confident	135 Å²	135	73 Å²	73	53%	0.529	37%	0.365	S	S	.	.			trans	-106.3	155.3	-173.8	-146.7	-101.8	0	0	0	112	C430 V436 C437	C430-Y433 PolarHBondContact O-N 2.72Å; Y433-V436 WeakPolarHBondContact CE1-O 3.44Å; Y433-C437 HydrophobicContact CD1-CB 3.63Å; Y433-C437 HydrophobicContact CD2-CB 4.34Å; Y433-C437 HydrophobicContact CE1-CB 4.24Å; Y433-C437 HydrophobicContact CG-CB 3.69Å
434	R	81.6	Confident	87.9	Confident	217 Å²	217	74 Å²	74	82%	0.819	38%	0.38	S	S	*	.	S	Bend	trans	-109.8	127.7	172.3	-64.9	-174	-177.3	-171.9	1.3	109.3
435	G	86.1	Confident	87.7	Confident	10 Å²	10	71.3 Å²	71.3	10%	0.103	37%	0.372	C	S	.	.	S	Bend	trans	81.4	-153.2	-173.6	0	0	0	0	0	112.4	N98	N98-G435 VanDerWaalsContact O-CA 3.24Å; N98-G435 WeakPolarHBondContact O-CA 3.27Å
436	V	88.6	Confident	87.7	Confident	37 Å²	37	76.9 Å²	76.9	22%	0.224	40%	0.396	C	S	.	.			trans	-80.3	125.4	178.7	-175.7	0	0	0	0	109.7	D48 V49 V99 Y433 M440 E441	D48-V436 HydrophobicContact CB-CG2 4.22Å; V49-V436 HydrophobicContact CG2-CG2 3.67Å; V99-V436 HydrophobicContact CG1-CG2 3.88Å; V99-V436 HydrophobicContact CG2-CG2 3.97Å; Y433-V436 WeakPolarHBondContact CE1-O 3.44Å; V436-M440 HydrophobicContact CG1-CB 4.08Å; V436-M440 HydrophobicContact CG1-CG 4.25Å; V436-M440 HydrophobicContact CG1-SD 4.05Å; V436-E441 HydrophobicContact CG1-CG 3.88Å
437	C	90.3	Very high	87.8	Confident	8 Å²	8	79.6 Å²	79.6	5%	0.054	41%	0.407	C	S	.	.			trans	-94	158.7	175	73.1	0	0	0	0	112.7	L429 C430 Y433 E439 M440 E441	L429-C437 PolarHBondContact O-SG 2.79Å; L429-C437 VanDerWaalsContact O-SG 3.42Å; C430-C437 WeakPolarHBondContact CA-SG 3.5Å; C430-C437 HydrophobicContact CB-CB 3.65Å; C430-C437 WeakPolarHBondContact CB-SG 3.4Å; C430-C437 WeakPolarHBondContact SG-CB 3.49Å; C430-C437 PolarHBondContact SG-N 2.87Å; C430-C437 VanDerWaalsContact SG-N 3.44Å; C430-C437 CovalentContact SG-SG 2.04Å; C430-C437 PolarHBondContact SG-SG 2.75Å; Y433-C437 HydrophobicContact CD1-CB 3.63Å; Y433-C437 HydrophobicContact CD2-CB 4.34Å; Y433-C437 HydrophobicContact CE1-CB 4.24Å; Y433-C437 HydrophobicContact CG-CB 3.69Å; C437-E439 VanDerWaalsContact C-N 3.26Å; C437-E439 PolarHBondContact O-N 2.9Å; C437-E439 VanDerWaalsContact O-N 3.16Å; C437-M440 WeakPolarHBondContact O-CA 3.42Å; C437-M440 VanDerWaalsContact O-CB 3.31Å; C437-M440 WeakPolarHBondContact O-CB 3.38Å; C437-M440 PolarHBondContact O-N 3.03Å; C437-E441 PolarHBondContact O-N 3.3Å
438	P	88.6	Confident	87.9	Confident	64 Å²	64	73.9 Å²	73.9	42%	0.416	38%	0.382	S	S	.	.	H	α-helix	trans	-57.9	-31.2	-177.9	-27.8	36.3	0	0	0	114.9	M440 E441 Q442	P438-M440 VanDerWaalsContact C-N 3.3Å; P438-M440 PolarHBondContact O-N 3.07Å; P438-E441 PolarHBondContact O-N 3.14Å; P438-Q442 WeakPolarHBondContact O-CB 3.4Å; P438-Q442 VanDerWaalsContact O-CG 3.31Å; P438-Q442 WeakPolarHBondContact O-CG 3.37Å; P438-Q442 PolarHBondContact O-N 2.98Å; P438-Q442 VanDerWaalsContact O-N 3.09Å
439	E	88.9	Confident	88.1	Confident	120 Å²	120	69.9 Å²	69.9	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-65.3	-33.5	173.2	-73.1	-156.8	-154.7	0	0	112.8	L429 C437 A443	L429-E439 HydrophobicContact CB-CB 4.4Å; C437-E439 VanDerWaalsContact C-N 3.26Å; C437-E439 PolarHBondContact O-N 2.9Å; C437-E439 VanDerWaalsContact O-N 3.16Å; E439-A443 WeakPolarHBondContact O-CA 3.4Å; E439-A443 WeakPolarHBondContact O-CB 3.45Å; E439-A443 PolarHBondContact O-N 3.29Å
440	M	90.1	Very high	88.3	Confident	13 Å²	13	75.2 Å²	75.2	6%	0.064	38%	0.383	C	S	.	.	H	α-helix	trans	-73.2	-35.2	176.6	-167.9	-178.6	-180	0	0	111.3	L422 M425 N426 V436 C437 P438 Q442 A443	L422-M440 HydrophobicContact CB-CE 4.17Å; L422-M440 HydrophobicContact CD2-CE 3.79Å; L422-M440 WeakPolarHBondContact O-CE 3.4Å; M425-M440 HydrophobicContact CE-CE 4.12Å; M425-M440 HydrophobicContact CE-CG 3.62Å; N426-M440 HydrophobicContact CB-CE 4.05Å; N426-M440 HydrophobicContact CB-SD 3.92Å; V436-M440 HydrophobicContact CG1-CB 4.08Å; V436-M440 HydrophobicContact CG1-CG 4.25Å; V436-M440 HydrophobicContact CG1-SD 4.05Å; C437-M440 WeakPolarHBondContact O-CA 3.42Å; C437-M440 VanDerWaalsContact O-CB 3.31Å; C437-M440 WeakPolarHBondContact O-CB 3.38Å; C437-M440 PolarHBondContact O-N 3.03Å; P438-M440 VanDerWaalsContact C-N 3.3Å; P438-M440 PolarHBondContact O-N 3.07Å; M440-Q442 VanDerWaalsContact C-N 3.35Å; M440-A443 WeakPolarHBondContact O-CB 3.15Å
441	E	85.2	Confident	88.6	Confident	115 Å²	115	76.7 Å²	76.7	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-37.6	172.8	-62	-166.1	132.3	0	0	112.8	K149 V436 C437 P438	K149-E441 PolarHBondContact NZ-O 3.3Å; V436-E441 HydrophobicContact CG1-CG 3.88Å; C437-E441 PolarHBondContact O-N 3.3Å; P438-E441 PolarHBondContact O-N 3.14Å
442	Q	84.9	Confident	89.3	Confident	158 Å²	158	72.7 Å²	72.7	74%	0.738	36%	0.355	S	S	*	.	H	α-helix	trans	-87.7	-15.4	-178	-66.5	177.5	36.3	0	0	113.6	P438 M440 G444	P438-Q442 WeakPolarHBondContact O-CB 3.4Å; P438-Q442 VanDerWaalsContact O-CG 3.31Å; P438-Q442 WeakPolarHBondContact O-CG 3.37Å; P438-Q442 PolarHBondContact O-N 2.98Å; P438-Q442 VanDerWaalsContact O-N 3.09Å; M440-Q442 VanDerWaalsContact C-N 3.35Å; Q442-G444 PolarHBondContact O-N 2.95Å
443	A	83.6	Confident	90	Very high	22 Å²	22	66.5 Å²	66.5	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	-49.6	-35.4	-177.6	0	0	0	0	0	114.5	M425 L429 E439 M440 K447	M425-A443 HydrophobicContact CE-CB 3.94Å; M425-A443 HydrophobicContact SD-CB 3.95Å; L429-A443 HydrophobicContact CD1-CB 4.23Å; E439-A443 WeakPolarHBondContact O-CA 3.4Å; E439-A443 WeakPolarHBondContact O-CB 3.45Å; E439-A443 PolarHBondContact O-N 3.29Å; M440-A443 WeakPolarHBondContact O-CB 3.15Å; A443-K447 HydrophobicContact CB-CB 4.21Å; A443-K447 HydrophobicContact CB-CD 3.86Å; A443-K447 HydrophobicContact CB-CG 4.49Å; A443-K447 WeakPolarHBondContact O-CB 3.2Å
444	G	86.7	Confident	90.6	Very high	38 Å²	38	66.1 Å²	66.1	39%	0.392	33%	0.326	S	S	.	.			trans	71.3	154.6	-177.5	0	0	0	0	0	113.4	Q442 K446 K447 L448	Q442-G444 PolarHBondContact O-N 2.95Å; G444-K446 PolarHBondContact O-N 3.4Å; G444-K446 VanDerWaalsContact O-N 3.13Å; G444-K447 PolarHBondContact O-N 2.99Å; G444-L448 PolarHBondContact O-N 3.39Å
445	G	91.1	Very high	91.3	Very high	15 Å²	15	56 Å²	56	16%	0.155	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-20.7	-175.8	0	0	0	0	0	114	Q173 K447 L448 L449	Q173-G445 CarbonylContact O-C 3.51Å; Q173-G445 WeakPolarHBondContact O-CA 3.34Å; G445-K447 VanDerWaalsContact C-N 3.32Å; G445-K447 PolarHBondContact O-N 2.99Å; G445-L448 PolarHBondContact O-N 2.98Å; G445-L449 VanDerWaalsContact O-CB 3.32Å; G445-L449 WeakPolarHBondContact O-CB 3.45Å; G445-L449 PolarHBondContact O-N 3.47Å
446	K	93.1	Very high	91.7	Very high	126 Å²	126	61 Å²	61	55%	0.548	31%	0.312	S	S	.	.	H	α-helix	trans	-68.4	-25.7	172.2	-168.8	166.7	-175.8	166.4	0	113.8	F194 G444	F194-K446 HydrophobicContact CE1-CB 4.14Å; F194-K446 HydrophobicContact CZ-CB 3.94Å; F194-K446 HydrophobicContact CZ-CD 4.5Å; F194-K446 HydrophobicContact CZ-CG 4.23Å; G444-K446 PolarHBondContact O-N 3.4Å; G444-K446 VanDerWaalsContact O-N 3.13Å
447	K	94.6	Very high	92	Very high	71 Å²	71	60.3 Å²	60.3	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-81	-44.5	171.3	-164.3	174.2	-178.5	-174.3	0	109.6	L429 A443 G444 G445 L449 K450 Y451	L429-K447 HydrophobicContact CD1-CD 4.2Å; L429-K447 VanDerWaalsContact CD1-NZ 3.3Å; A443-K447 HydrophobicContact CB-CB 4.21Å; A443-K447 HydrophobicContact CB-CD 3.86Å; A443-K447 HydrophobicContact CB-CG 4.49Å; A443-K447 WeakPolarHBondContact O-CB 3.2Å; G444-K447 PolarHBondContact O-N 2.99Å; G445-K447 VanDerWaalsContact C-N 3.32Å; G445-K447 PolarHBondContact O-N 2.99Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 2.81Å; K447-K450 WeakPolarHBondContact O-CB 3.25Å; K447-K450 PolarHBondContact O-N 3.26Å; K447-K450 VanDerWaalsContact O-N 3.12Å; K447-Y451 HydrophobicContact CG-CE2 4.24Å; K447-Y451 WeakPolarHBondContact O-CD2 3.44Å
448	L	95.6	Very high	92.1	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-56.7	-41.8	174.9	-178.6	57.1	0	0	0	113.1	P175 M418 A421 L422 M425 G444 G445 K450 Y451 I452	P175-L448 HydrophobicContact CG-CD2 4Å; P175-L448 HydrophobicContact CG-CG 4.27Å; M418-L448 HydrophobicContact SD-CD2 4.15Å; A421-L448 HydrophobicContact CB-CD1 4.15Å; L422-L448 HydrophobicContact CD2-CD1 3.76Å; L422-L448 HydrophobicContact CD2-CD2 4.11Å; L422-L448 HydrophobicContact CG-CD1 4.09Å; M425-L448 HydrophobicContact CE-CB 4.39Å; M425-L448 HydrophobicContact CE-CD1 4.3Å; M425-L448 HydrophobicContact SD-CB 4.1Å; M425-L448 HydrophobicContact SD-CD1 4.26Å; G444-L448 PolarHBondContact O-N 3.39Å; G445-L448 PolarHBondContact O-N 2.98Å; L448-K450 PolarHBondContact O-N 3.06Å; L448-Y451 WeakPolarHBondContact O-CA 3.32Å; L448-Y451 WeakPolarHBondContact O-CB 3.43Å; L448-Y451 PolarHBondContact O-N 3.13Å; L448-I452 HydrophobicContact CG-CD1 4.05Å; L448-I452 HydrophobicContact CG-CG1 4.41Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 3.28Å
449	L	95.4	Very high	92	Very high	20 Å²	20	63 Å²	63	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-35.4	176.4	178.6	69.3	0	0	0	113.1	P175 D193 F194 G445 K447 I452 R453	P175-L449 HydrophobicContact CB-CD1 4.31Å; D193-L449 WeakPolarHBondContact O-CD2 3.22Å; F194-L449 HydrophobicContact CD1-CD2 4.16Å; F194-L449 HydrophobicContact CE1-CD2 4.26Å; G445-L449 VanDerWaalsContact O-CB 3.32Å; G445-L449 WeakPolarHBondContact O-CB 3.45Å; G445-L449 PolarHBondContact O-N 3.47Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 2.81Å; L449-I452 PolarHBondContact O-N 3.27Å; L449-R453 HydrophobicContact CD1-CG 4.48Å; L449-R453 PolarHBondContact O-N 2.76Å
450	K	95.2	Very high	91.6	Very high	144 Å²	144	59.6 Å²	59.6	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-68.1	-36	175.9	-64.1	-177.7	176.2	-175.3	0	112	K447 L448 N454	K447-K450 WeakPolarHBondContact O-CB 3.25Å; K447-K450 PolarHBondContact O-N 3.26Å; K447-K450 VanDerWaalsContact O-N 3.12Å; L448-K450 PolarHBondContact O-N 3.06Å; K450-N454 WeakPolarHBondContact O-CB 3.38Å; K450-N454 PolarHBondContact O-N 3.4Å; K450-N454 PolarHBondContact O-ND2 2.89Å
451	Y	96.6	Very high	91.1	Very high	37 Å²	37	60.6 Å²	60.6	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-69.4	-41.3	173	-69.7	-77.5	0	0	0	111.1	A421 H424 M425 D428 K447 L448 N454 V455	A421-Y451 WeakPolarHBondContact O-CB 3.28Å; H424-Y451 HydrophobicContact CB-CD1 3.72Å; H424-Y451 HydrophobicContact CB-CE1 4.18Å; M425-Y451 HydrophobicContact CB-CD1 4.4Å; M425-Y451 HydrophobicContact CB-CD2 3.64Å; M425-Y451 HydrophobicContact CB-CE2 3.76Å; M425-Y451 HydrophobicContact CB-CG 3.99Å; M425-Y451 HydrophobicContact CG-CD2 3.78Å; M425-Y451 HydrophobicContact CG-CE2 3.59Å; M425-Y451 HydrophobicContact SD-CD2 3.92Å; M425-Y451 HydrophobicContact SD-CE2 4.08Å; D428-Y451 HydrophobicContact CB-CE1 4.37Å; D428-Y451 VanDerWaalsContact CB-OH 3.31Å; D428-Y451 WeakPolarHBondContact CB-OH 3.33Å; D428-Y451 WeakPolarHBondContact OD2-CE1 3.33Å; D428-Y451 VanDerWaalsContact OD2-CZ 3.3Å; D428-Y451 PolarHBondContact OD2-OH 3.29Å; K447-Y451 HydrophobicContact CG-CE2 4.24Å; K447-Y451 WeakPolarHBondContact O-CD2 3.44Å; L448-Y451 WeakPolarHBondContact O-CA 3.32Å; L448-Y451 WeakPolarHBondContact O-CB 3.43Å; L448-Y451 PolarHBondContact O-N 3.13Å; Y451-N454 CarbonylContact O-C 3.52Å; Y451-N454 PolarHBondContact O-N 3Å; Y451-V455 VanDerWaalsContact O-CG1 3.32Å; Y451-V455 WeakPolarHBondContact O-CG1 3.23Å; Y451-V455 PolarHBondContact O-N 3.28Å
452	I	96.4	Very high	90.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-55.3	175.2	-66.4	169	0	0	0	110.6	P175 I177 M418 A421 L448 L449 N454 V455 F467	P175-I452 HydrophobicContact CB-CD1 3.64Å; P175-I452 HydrophobicContact CG-CD1 3.78Å; I177-I452 HydrophobicContact CD1-CD1 4.26Å; I177-I452 HydrophobicContact CD1-CG1 4.37Å; I177-I452 HydrophobicContact CD1-CG2 3.73Å; I177-I452 HydrophobicContact CG1-CG2 4.14Å; M418-I452 HydrophobicContact CE-CD1 3.93Å; M418-I452 HydrophobicContact SD-CD1 3.84Å; M418-I452 HydrophobicContact SD-CG1 4.39Å; A421-I452 HydrophobicContact CB-CB 4.31Å; A421-I452 HydrophobicContact CB-CG1 3.57Å; L448-I452 HydrophobicContact CG-CD1 4.05Å; L448-I452 HydrophobicContact CG-CG1 4.41Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 3.28Å; L449-I452 PolarHBondContact O-N 3.27Å; I452-N454 PolarHBondContact O-N 3.1Å; I452-V455 WeakPolarHBondContact O-CG2 3.47Å; I452-V455 PolarHBondContact O-N 3.49Å; I452-F467 HydrophobicContact CG2-CD2 4.44Å; I452-F467 HydrophobicContact CG2-CE2 3.87Å; I452-F467 HydrophobicContact CG2-CZ 4.35Å; I452-F467 WeakPolarHBondContact O-CD2 3.4Å; I452-F467 VanDerWaalsContact O-CE2 3.29Å; I452-F467 WeakPolarHBondContact O-CE2 3.46Å
453	R	95	Very high	90.9	Very high	42 Å²	42	52.1 Å²	52.1	16%	0.158	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.7	-179.2	-69.3	-167.4	-179.7	172.1	8.5	114.4	D189 D193 F195 L449 K469	D189-R453 IonicContact OD1-CZ 3.2Å; D189-R453 IonicContact OD1-NH1 3.4Å; D189-R453 PolarHBondContact OD1-NH1 2.81Å; D189-R453 IonicContact OD1-NH2 2.75Å; D189-R453 PolarHBondContact OD1-NH2 3.05Å; D189-R453 IonicContact OD2-NH1 2.73Å; D193-R453 PolarHBondContact O-NH2 3.2Å; F195-R453 PolarHBondContact O-NH2 2.79Å; L449-R453 HydrophobicContact CD1-CG 4.48Å; L449-R453 PolarHBondContact O-N 2.76Å; R453-K469 PolarHBondContact NH1-O 2.87Å
454	N	96.1	Very high	91.2	Very high	127 Å²	127	53.3 Å²	53.3	68%	0.679	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	6.1	178.2	-71.9	-4.8	0	0	0	114.1	K450 Y451 I452	K450-N454 WeakPolarHBondContact O-CB 3.38Å; K450-N454 PolarHBondContact O-N 3.4Å; K450-N454 PolarHBondContact O-ND2 2.89Å; Y451-N454 CarbonylContact O-C 3.52Å; Y451-N454 PolarHBondContact O-N 3Å; I452-N454 PolarHBondContact O-N 3.1Å
455	V	95.4	Very high	91.5	Very high	4 Å²	4	52 Å²	52	2%	0.024	29%	0.286	C	S	.	.			trans	-70.1	144	175.3	-54.6	0	0	0	0	111.7	A417 H420 A421 Y451 I452 F457 F467	A417-V455 HydrophobicContact CB-CG2 4.24Å; H420-V455 HydrophobicContact CB-CG1 4.12Å; A421-V455 HydrophobicContact CB-CG1 3.98Å; Y451-V455 VanDerWaalsContact O-CG1 3.32Å; Y451-V455 WeakPolarHBondContact O-CG1 3.23Å; Y451-V455 PolarHBondContact O-N 3.28Å; I452-V455 WeakPolarHBondContact O-CG2 3.47Å; I452-V455 PolarHBondContact O-N 3.49Å; V455-F457 HydrophobicContact CB-CD1 4.24Å; V455-F457 HydrophobicContact CB-CE1 4.41Å; V455-F457 HydrophobicContact CG2-CD1 4.22Å; V455-F457 HydrophobicContact CG2-CE1 3.99Å; V455-F467 HydrophobicContact CG2-CD2 3.97Å; V455-F467 HydrophobicContact CG2-CE2 3.6Å
456	N	95.4	Very high	91.7	Very high	115 Å²	115	55.2 Å²	55.2	62%	0.615	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.3	111.6	169.3	-178.5	11.9	0	0	0	107.9	V465	N456-V465 WeakPolarHBondContact CA-O 3.48Å
457	F	94.3	Very high	91.7	Very high	23 Å²	23	50.1 Å²	50.1	10%	0.101	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	158.3	-178.7	67	-78	0	0	0	109.7	A417 H420 V455 G459 P464 V465	A417-F457 HydrophobicContact CB-CE1 3.93Å; A417-F457 HydrophobicContact CB-CZ 4.09Å; H420-F457 HydrophobicContact CB-CD1 4.48Å; H420-F457 AromaticContact CD2-CD1 3.67Å; H420-F457 AromaticContact CD2-CD2 3.55Å; H420-F457 AromaticContact CD2-CE1 3.96Å; H420-F457 AromaticContact CD2-CE2 3.85Å; H420-F457 AromaticContact CD2-CG 3.47Å; H420-F457 VanDerWaalsContact CD2-CG 3.47Å; H420-F457 WeakPolarHBondContact CD2-CG 3.45Å; H420-F457 AromaticContact NE2-CD2 3.53Å; H420-F457 AromaticContact NE2-CG 3.66Å; V455-F457 HydrophobicContact CB-CD1 4.24Å; V455-F457 HydrophobicContact CB-CE1 4.41Å; V455-F457 HydrophobicContact CG2-CD1 4.22Å; V455-F457 HydrophobicContact CG2-CE1 3.99Å; F457-G459 PolarHBondContact O-N 2.72Å; F457-P464 CarbonylContact O-C 3.58Å; F457-P464 WeakPolarHBondContact O-CA 3.48Å; F457-V465 HydrophobicContact CD1-CB 4.14Å; F457-V465 HydrophobicContact CE1-CB 3.61Å; F457-V465 HydrophobicContact CE1-CG1 3.64Å; F457-V465 HydrophobicContact CE1-CG2 4.44Å; F457-V465 HydrophobicContact CE2-CB 4.14Å; F457-V465 HydrophobicContact CE2-CG2 4.12Å; F457-V465 HydrophobicContact CZ-CB 3.61Å; F457-V465 HydrophobicContact CZ-CG1 3.69Å; F457-V465 HydrophobicContact CZ-CG2 3.94Å; F457-V465 PolarHBondContact N-O 3.01Å; F457-V465 PolarHBondContact O-N 2.9Å
458	N	92.5	Very high	91.6	Very high	120 Å²	120	49.8 Å²	49.8	64%	0.642	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.9	170.1	-75.1	-1.6	0	0	0	109.1
459	G	85.9	Confident	91.4	Very high	10 Å²	10	58.5 Å²	58.5	10%	0.103	32%	0.315	C	S	.	.			trans	-71.4	-178.2	175.9	0	0	0	0	0	113.1	D413 F457 A461 G462 T463	D413-G459 WeakPolarHBondContact OD1-CA 3.35Å; F457-G459 PolarHBondContact O-N 2.72Å; G459-A461 PolarHBondContact O-N 2.95Å; G459-A461 VanDerWaalsContact O-N 3.09Å; G459-G462 PolarHBondContact O-N 2.65Å; G459-T463 PolarHBondContact N-O 3.24Å
460	S	81.3	Confident	91.2	Very high	48 Å²	48	60.7 Å²	60.7	34%	0.336	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25	-175.6	53.2	0	0	0	0	114.8	Q409 D413	Q409-S460 VanDerWaalsContact CG-OG 3.28Å; Q409-S460 WeakPolarHBondContact CG-OG 3.41Å; D413-S460 WeakPolarHBondContact OD1-CB 3.18Å; D413-S460 PolarHBondContact OD1-N 3.2Å; D413-S460 PolarHBondContact OD1-OG 2.94Å
461	A	78	Confident	91	Very high	33 Å²	33	53.8 Å²	53.8	27%	0.273	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	10.1	174.4	0	0	0	0	0	114.6	A341 Q409 G459 T463	A341-A461 HydrophobicContact CB-CB 3.72Å; Q409-A461 HydrophobicContact CG-CB 3.94Å; G459-A461 PolarHBondContact O-N 2.95Å; G459-A461 VanDerWaalsContact O-N 3.09Å; A461-T463 PolarHBondContact O-N 3.04Å
462	G	82.3	Confident	91	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	29%	0.291	S	S	.	.	S	Bend	trans	73.7	-2.9	-174.1	0	0	0	0	0	114.9	G459	G459-G462 PolarHBondContact O-N 2.65Å
463	T	83.6	Confident	90.8	Very high	45 Å²	45	52.7 Å²	52.7	28%	0.276	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-76.9	137.8	173.3	48.8	0	0	0	0	111.4	G459 A461 V465	G459-T463 PolarHBondContact N-O 3.24Å; A461-T463 PolarHBondContact O-N 3.04Å; T463-V465 PolarHBondContact O-N 2.88Å
464	P	90.3	Very high	90.6	Very high	48 Å²	48	53.4 Å²	53.4	31%	0.312	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.4	177.7	27.6	-34.4	0	0	0	111.5	F457	F457-P464 CarbonylContact O-C 3.58Å; F457-P464 WeakPolarHBondContact O-CA 3.48Å
465	V	93.3	Very high	90.3	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.1	175.8	-179	0	0	0	0	108.2	V198 D413 A417 N456 F457 T463	V198-V465 HydrophobicContact CG1-CG1 3.99Å; D413-V465 HydrophobicContact CB-CG2 3.92Å; A417-V465 HydrophobicContact CB-CG1 4.5Å; N456-V465 WeakPolarHBondContact CA-O 3.48Å; F457-V465 HydrophobicContact CD1-CB 4.14Å; F457-V465 HydrophobicContact CE1-CB 3.61Å; F457-V465 HydrophobicContact CE1-CG1 3.64Å; F457-V465 HydrophobicContact CE1-CG2 4.44Å; F457-V465 HydrophobicContact CE2-CB 4.14Å; F457-V465 HydrophobicContact CE2-CG2 4.12Å; F457-V465 HydrophobicContact CZ-CB 3.61Å; F457-V465 HydrophobicContact CZ-CG1 3.69Å; F457-V465 HydrophobicContact CZ-CG2 3.94Å; F457-V465 PolarHBondContact N-O 3.01Å; F457-V465 PolarHBondContact O-N 2.9Å; T463-V465 PolarHBondContact O-N 2.88Å
466	M	94.4	Very high	90.2	Very high	82 Å²	82	51.8 Å²	51.8	40%	0.404	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	153.6	-176.1	61.9	-176	-63.6	0	0	110.1
467	F	95	Very high	90.1	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.083	26%	0.261	C	S	.	.			trans	-112.8	150.3	179.1	-54.5	-75	0	0	0	112	I177 R197 V198 A417 I452 V455 G471 D472	I177-F467 HydrophobicContact CG2-CZ 4.34Å; R197-F467 WeakPolarHBondContact O-CE1 3.44Å; V198-F467 HydrophobicContact CG1-CE1 3.89Å; V198-F467 HydrophobicContact CG1-CZ 3.92Å; A417-F467 HydrophobicContact CB-CE2 4.33Å; A417-F467 HydrophobicContact CB-CZ 4.18Å; I452-F467 HydrophobicContact CG2-CD2 4.44Å; I452-F467 HydrophobicContact CG2-CE2 3.87Å; I452-F467 HydrophobicContact CG2-CZ 4.35Å; I452-F467 WeakPolarHBondContact O-CD2 3.4Å; I452-F467 VanDerWaalsContact O-CE2 3.29Å; I452-F467 WeakPolarHBondContact O-CE2 3.46Å; V455-F467 HydrophobicContact CG2-CD2 3.97Å; V455-F467 HydrophobicContact CG2-CE2 3.6Å; F467-G471 VanDerWaalsContact CD1-O 3.32Å; F467-G471 WeakPolarHBondContact CD1-O 3.28Å; F467-D472 CarbonylContact C-O 3.57Å; F467-D472 WeakPolarHBondContact CA-O 3.33Å
468	N	92.1	Very high	90.1	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.342	26%	0.26	S	S	.	.			trans	-80.9	-178.3	166.6	78.5	8.9	0	0	0	111.2	N470 G471 D472	N468-N470 PolarHBondContact O-N 2.98Å; N468-N470 VanDerWaalsContact O-N 3.14Å; N468-N470 WeakPolarHBondContact OD1-CA 3.39Å; N468-N470 WeakPolarHBondContact OD1-CB 3.37Å; N468-N470 PolarHBondContact OD1-N 3.48Å; N468-G471 PolarHBondContact O-N 3.36Å; N468-G471 PolarHBondContact OD1-N 3.43Å; N468-G471 VanDerWaalsContact OD1-N 3.14Å; N468-D472 PolarHBondContact N-O 2.88Å; N468-D472 PolarHBondContact OD1-N 2.81Å
469	K	90.1	Very high	90.3	Very high	187 Å²	187	40.4 Å²	40.4	81%	0.813	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.1	-179.7	-65.5	-179.8	-179.7	175.7	0	114.1	R453	R453-K469 PolarHBondContact NH1-O 2.87Å
470	N	91.3	Very high	90.7	Very high	65 Å²	65	41.4 Å²	41.4	35%	0.348	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.6	-178.1	-52.8	-5.1	0	0	0	112.4	N468	N468-N470 PolarHBondContact O-N 2.98Å; N468-N470 VanDerWaalsContact O-N 3.14Å; N468-N470 WeakPolarHBondContact OD1-CA 3.39Å; N468-N470 WeakPolarHBondContact OD1-CB 3.37Å; N468-N470 PolarHBondContact OD1-N 3.48Å
471	G	92.6	Very high	91.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	90.4	11.7	-173.7	0	0	0	0	0	115	S196 R197 F467 N468	S196-G471 CarbonylContact C-O 3.52Å; S196-G471 WeakPolarHBondContact CA-O 3.44Å; S196-G471 WeakPolarHBondContact CB-O 3.47Å; R197-G471 PolarHBondContact N-O 3.15Å; F467-G471 VanDerWaalsContact CD1-O 3.32Å; F467-G471 WeakPolarHBondContact CD1-O 3.28Å; N468-G471 PolarHBondContact O-N 3.36Å; N468-G471 PolarHBondContact OD1-N 3.43Å; N468-G471 VanDerWaalsContact OD1-N 3.14Å
472	D	94.8	Very high	91.9	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-92.5	146.5	178.3	-54.7	-64.7	0	0	0	112.8	S187 R197 P201 F467 N468	S187-D472 WeakPolarHBondContact CB-OD2 3.47Å; S187-D472 PolarHBondContact OG-OD1 3.1Å; S187-D472 PolarHBondContact OG-OD2 2.66Å; R197-D472 IonicContact CZ-OD1 2.61Å; R197-D472 IonicContact NE-OD1 3.35Å; R197-D472 PolarHBondContact NE-OD1 2.86Å; R197-D472 IonicContact NH2-OD1 2.92Å; R197-D472 PolarHBondContact NH2-OD1 2.97Å; P201-D472 HydrophobicContact CG-CB 4.41Å; F467-D472 CarbonylContact C-O 3.57Å; F467-D472 WeakPolarHBondContact CA-O 3.33Å; N468-D472 PolarHBondContact N-O 2.88Å; N468-D472 PolarHBondContact OD1-N 2.81Å
473	A	93.1	Very high	92.3	Very high	10 Å²	10	36.3 Å²	36.3	8%	0.083	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-74.2	153.5	163.8	0	0	0	0	0	112.3	R197 V198	R197-A473 PolarHBondContact O-N 3.28Å; R197-A473 VanDerWaalsContact O-N 3.13Å; V198-A473 VanDerWaalsContact C-CB 3.47Å; V198-A473 WeakPolarHBondContact O-CB 3.4Å
474	P	91.6	Very high	92	Very high	57 Å²	57	37 Å²	37	37%	0.37	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-70.1	146.9	179.2	28.6	-35.3	0	0	0	113.3	R476	P474-R476 PolarHBondContact O-N 3.43Å
475	G	89.6	Confident	90.8	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.031	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-68	118.8	178.6	0	0	0	0	0	113
476	R	91.9	Very high	88.9	Confident	95 Å²	95	44.4 Å²	44.4	36%	0.358	23%	0.225	S	C	.	.			trans	-145.7	119.5	173.1	-60.6	-175.4	179.2	160.8	2	109	P338 K339 P474 W498 T499	P338-R476 WeakPolarHBondContact CA-O 3.24Å; K339-R476 HydrophobicContact CB-CB 4.06Å; K339-R476 PolarHBondContact N-O 3.13Å; P474-R476 PolarHBondContact O-N 3.43Å; R476-W498 WeakPolarHBondContact CA-O 3.4Å; R476-T499 HydrophobicContact CB-CG2 4.36Å; R476-T499 HydrophobicContact CG-CG2 4.17Å
477	Y	94.3	Very high	86.9	Confident	2 Å²	2	46 Å²	46	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142	-177.3	-54.9	-88.9	0	0	0	111.9	P200 P201 F204 Q205 A208 Q337 P338 Q497 W498	P200-Y477 HydrophobicContact CG-CE1 4.17Å; P200-Y477 WeakPolarHBondContact CG-OH 3.2Å; P201-Y477 PolarHBondContact O-OH 3.2Å; F204-Y477 HydrophobicContact CB-CE2 3.89Å; Q205-Y477 HydrophobicContact CB-CE1 4.22Å; Q205-Y477 HydrophobicContact CG-CE1 4.41Å; Q205-Y477 PolarHBondContact N-OH 3.36Å; A208-Y477 HydrophobicContact CB-CD2 4.47Å; Q337-Y477 CarbonylContact O-C 3.44Å; Q337-Y477 VanDerWaalsContact O-CA 3.24Å; Q337-Y477 WeakPolarHBondContact O-CA 3.31Å; P338-Y477 HydrophobicContact CG-CD1 4.25Å; P338-Y477 HydrophobicContact CG-CE1 4.05Å; Y477-Q497 CarbonylContact O-C 3.49Å; Y477-Q497 WeakPolarHBondContact O-CA 3.39Å; Y477-W498 HydrophobicContact CD2-CD2 4.46Å; Y477-W498 AromaticContact CD2-CE3 3.82Å; Y477-W498 HydrophobicContact CD2-CE3 3.82Å; Y477-W498 HydrophobicContact CD2-CZ3 4.47Å; Y477-W498 HydrophobicContact CE2-CE3 4.2Å; Y477-W498 HydrophobicContact CE2-CZ3 4.42Å; Y477-W498 PolarHBondContact N-O 3.27Å; Y477-W498 PolarHBondContact O-N 3.49Å
478	D	94.4	Very high	84.9	Confident	16 Å²	16	50.9 Å²	50.9	9%	0.086	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.8	162.4	-67.3	-58.1	0	0	0	108.6	Q337 K339 F480 L494 Q497	Q337-D478 PolarHBondContact N-O 3.32Å; Q337-D478 PolarHBondContact O-N 3.17Å; K339-D478 WeakPolarHBondContact CA-OD2 3.42Å; K339-D478 WeakPolarHBondContact CG-OD2 3.2Å; K339-D478 IonicContact NZ-OD1 2.8Å; D478-F480 HydrophobicContact CB-CD2 4.42Å; D478-F480 HydrophobicContact CB-CE2 3.56Å; D478-F480 HydrophobicContact CB-CZ 4.02Å; D478-L494 HydrophobicContact CB-CD1 3.76Å; D478-Q497 WeakPolarHBondContact OD1-CG 3.32Å; D478-Q497 PolarHBondContact OD1-NE2 2.68Å
479	I	96.1	Very high	83.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.5	-175.5	-52.5	167.8	0	0	0	108.6	I212 I334 I336 I495 G496 W498 L502 L504	I212-I479 HydrophobicContact CD1-CD1 3.88Å; I212-I479 HydrophobicContact CD1-CG1 4.22Å; I212-I479 HydrophobicContact CD1-CG2 4Å; I212-I479 HydrophobicContact CG1-CD1 4.15Å; I334-I479 HydrophobicContact CG2-CG2 3.81Å; I336-I479 HydrophobicContact CG2-CG1 4.33Å; I336-I479 HydrophobicContact CG2-CG2 4.45Å; I479-I495 HydrophobicContact CG2-CD1 4.27Å; I479-I495 HydrophobicContact CG2-CG1 4.05Å; I479-I495 WeakPolarHBondContact O-CG1 3.27Å; I479-I495 PolarHBondContact O-N 3.21Å; I479-G496 PolarHBondContact N-O 2.88Å; I479-G496 PolarHBondContact O-N 3.27Å; I479-W498 HydrophobicContact CD1-CB 4.37Å; I479-L502 HydrophobicContact CD1-CD1 3.23Å; I479-L504 HydrophobicContact CD1-CD1 4.32Å; I479-L504 HydrophobicContact CG2-CD1 4.19Å
480	F	94.4	Very high	82.4	Confident	32 Å²	32	49.3 Å²	49.3	14%	0.14	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	154.5	-178.3	-63.8	-90.9	0	0	0	111.3	I334 T335 Q337 D478 Y492 R493 L494	I334-F480 CarbonylContact C-O 3.34Å; I334-F480 WeakPolarHBondContact CA-O 3.45Å; T335-F480 PolarHBondContact N-O 2.76Å; T335-F480 PolarHBondContact O-N 3.5Å; Q337-F480 HydrophobicContact CB-CD2 4.29Å; Q337-F480 HydrophobicContact CB-CE2 4.04Å; D478-F480 HydrophobicContact CB-CD2 4.42Å; D478-F480 HydrophobicContact CB-CE2 3.56Å; D478-F480 HydrophobicContact CB-CZ 4.02Å; F480-Y492 HydrophobicContact CB-CD1 4.12Å; F480-R493 CarbonylContact C-O 3.51Å; F480-R493 VanDerWaalsContact CA-O 3.23Å; F480-R493 WeakPolarHBondContact CA-O 3.26Å; F480-L494 HydrophobicContact CD1-CB 4.24Å; F480-L494 HydrophobicContact CD1-CD1 4.4Å; F480-L494 HydrophobicContact CE1-CB 4Å; F480-L494 HydrophobicContact CE1-CD1 3.98Å; F480-L494 HydrophobicContact CE2-CD1 4.28Å; F480-L494 HydrophobicContact CZ-CD1 3.91Å
481	Q	93.8	Very high	82.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.2	163.5	-166.5	-179.3	41.7	0	0	109.7	G332 A333 I334 Q483 Y492 R493 I495 M509 Q510	G332-Q481 PolarHBondContact O-NE2 3.46Å; A333-Q481 CarbonylContact O-C 3.55Å; A333-Q481 VanDerWaalsContact O-CA 3.29Å; A333-Q481 WeakPolarHBondContact O-CA 3.36Å; A333-Q481 WeakPolarHBondContact O-CG 3.21Å; I334-Q481 HydrophobicContact CG1-CG 4.28Å; Q481-Q483 HydrophobicContact CB-CG 4.45Å; Q481-Q483 HydrophobicContact CG-CG 4.36Å; Q481-Y492 WeakPolarHBondContact O-CA 3.21Å; Q481-R493 PolarHBondContact N-O 2.87Å; Q481-R493 PolarHBondContact O-N 3.19Å; Q481-I495 HydrophobicContact CB-CD1 3.89Å; Q481-I495 HydrophobicContact CB-CG1 4.23Å; Q481-I495 HydrophobicContact CB-CG2 3.97Å; Q481-M509 VanDerWaalsContact OE1-CA 3.32Å; Q481-Q510 VanDerWaalsContact CD-O 3.25Å; Q481-Q510 PolarHBondContact NE2-O 2.91Å; Q481-Q510 VanDerWaalsContact NE2-O 3.1Å; Q481-Q510 PolarHBondContact OE1-O 3.04Å
482	Y	91.6	Very high	82	Confident	8 Å²	8	49.5 Å²	49.5	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.3	173	-171.7	-98.8	0	0	0	110.3	I320 L323 E327 A330 G332 A333 Y492	I320-Y482 HydrophobicContact CD1-CE2 4.31Å; L323-Y482 HydrophobicContact CD1-CD1 4.24Å; L323-Y482 HydrophobicContact CD1-CD2 3.33Å; L323-Y482 HydrophobicContact CD1-CE1 4.25Å; L323-Y482 HydrophobicContact CD1-CE2 3.33Å; L323-Y482 HydrophobicContact CD1-CG 3.81Å; E327-Y482 HydrophobicContact CB-CE1 4.09Å; E327-Y482 WeakPolarHBondContact CB-OH 3.23Å; E327-Y482 WeakPolarHBondContact CG-OH 3.41Å; E327-Y482 WeakPolarHBondContact O-CE1 3.46Å; A330-Y482 HydrophobicContact CB-CD1 4.02Å; A330-Y482 HydrophobicContact CB-CG 4.49Å; G332-Y482 PolarHBondContact N-O 3.33Å; A333-Y482 PolarHBondContact O-N 2.91Å; Y482-Y492 HydrophobicContact CD2-CD1 4.25Å; Y482-Y492 HydrophobicContact CD2-CD2 4.24Å; Y482-Y492 HydrophobicContact CD2-CE1 4.22Å; Y482-Y492 HydrophobicContact CD2-CE2 4.2Å; Y482-Y492 HydrophobicContact CD2-CG 4.28Å
483	Q	89.1	Confident	81.8	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.075	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.1	-173.9	-61.3	-173.3	-3	0	0	111.4	Q481 G491 D508 Q510	Q481-Q483 HydrophobicContact CB-CG 4.45Å; Q481-Q483 HydrophobicContact CG-CG 4.36Å; Q483-G491 PolarHBondContact N-O 2.85Å; Q483-G491 PolarHBondContact O-N 2.95Å; Q483-G491 VanDerWaalsContact O-N 3.07Å; Q483-D508 PolarHBondContact NE2-O 2.67Å; Q483-Q510 HydrophobicContact CG-CB 4.28Å
484	T	77.9	Confident	81.7	Confident	58 Å²	58	57.4 Å²	57.4	36%	0.356	32%	0.317	S	S	.	.			trans	-108	3.1	-169.7	-41.5	0	0	0	0	113	P490	T484-P490 HydrophobicContact CG2-CB 4.49Å
485	T	65.3	Low	81.8	Confident	38 Å²	38	54.7 Å²	54.7	23%	0.233	30%	0.3	C	S	.	.	S	Bend	trans	-99.9	115.2	-159.4	43.4	0	0	0	0	116.1	T487 Q510	T485-T487 VanDerWaalsContact C-N 3.26Å; T485-T487 PolarHBondContact O-N 3.36Å; T485-Q510 PolarHBondContact OG1-NE2 2.97Å; T485-Q510 PolarHBondContact OG1-OE1 3.16Å
486	N	54.3	Low	82.1	Confident	177 Å²	177	55 Å²	55	95%	0.947	30%	0.302	S	S	*	.	S	Bend	trans	54.3	-2.4	147.1	-106.4	7.2	0	0	0	121.9
487	T	52.4	Low	82.2	Confident	117 Å²	117	53.3 Å²	53.3	72%	0.718	30%	0.299	S	S	*	.	S	Bend	trans	-94	161.8	155.4	46.2	0	0	0	0	110.4	T485 N489	T485-T487 VanDerWaalsContact C-N 3.26Å; T485-T487 PolarHBondContact O-N 3.36Å; T487-N489 PolarHBondContact O-N 3.18Å
488	S	52.2	Low	82.3	Confident	120 Å²	120	53.4 Å²	53.4	84%	0.839	30%	0.299	S	S	*	.	S	Bend	trans	-66.5	-5.1	-159	47.4	0	0	0	0	117.6
489	N	58.7	Low	82.2	Confident	136 Å²	136	55.6 Å²	55.6	73%	0.727	31%	0.313	S	S	*	.	S	Bend	trans	-139.2	129	169.4	-72.7	-43.8	0	0	0	109.8	T487	T487-N489 PolarHBondContact O-N 3.18Å
490	P	71.9	Confident	81.7	Confident	82 Å²	82	61.3 Å²	61.3	53%	0.532	34%	0.344	S	S	.	.			trans	-75.1	153.7	165.8	33.2	-34.4	0	0	0	110.7	T484	T484-P490 HydrophobicContact CG2-CB 4.49Å
491	G	84.9	Confident	81.6	Confident	24 Å²	24	66.8 Å²	66.8	25%	0.247	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-167.5	179.9	0	0	0	0	0	115.6	Q483	Q483-G491 PolarHBondContact N-O 2.85Å; Q483-G491 PolarHBondContact O-N 2.95Å; Q483-G491 VanDerWaalsContact O-N 3.07Å
492	Y	89.1	Confident	81.6	Confident	46 Å²	46	68.9 Å²	68.9	18%	0.18	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.7	173.2	-66.7	-82.7	0	0	0	111.1	W316 G317 S318 K319 L323 T335 F480 Q481 Y482	W316-Y492 PolarHBondContact NE1-OH 3.03Å; G317-Y492 WeakPolarHBondContact O-CE1 3.21Å; S318-Y492 VanDerWaalsContact O-CD2 3.3Å; S318-Y492 WeakPolarHBondContact O-CD2 3.44Å; S318-Y492 WeakPolarHBondContact O-CE2 3.28Å; K319-Y492 VanDerWaalsContact O-CE2 3.32Å; K319-Y492 WeakPolarHBondContact O-CE2 3.33Å; K319-Y492 PolarHBondContact O-OH 3.13Å; L323-Y492 HydrophobicContact CD1-CE2 4Å; L323-Y492 WeakPolarHBondContact CD1-OH 3.37Å; T335-Y492 HydrophobicContact CG2-CE1 4.27Å; F480-Y492 HydrophobicContact CB-CD1 4.12Å; Q481-Y492 WeakPolarHBondContact O-CA 3.21Å; Y482-Y492 HydrophobicContact CD2-CD1 4.25Å; Y482-Y492 HydrophobicContact CD2-CD2 4.24Å; Y482-Y492 HydrophobicContact CD2-CE1 4.22Å; Y482-Y492 HydrophobicContact CD2-CE2 4.2Å; Y482-Y492 HydrophobicContact CD2-CG 4.28Å
493	R	90.4	Very high	81.8	Confident	100 Å²	100	74.1 Å²	74.1	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.9	171.6	-172.6	174.4	-173.8	-163.4	-3.9	109.7	F480 Q481 I495 D508	F480-R493 CarbonylContact C-O 3.51Å; F480-R493 VanDerWaalsContact CA-O 3.23Å; F480-R493 WeakPolarHBondContact CA-O 3.26Å; Q481-R493 PolarHBondContact N-O 2.87Å; Q481-R493 PolarHBondContact O-N 3.19Å; R493-I495 PolarHBondContact O-N 3.1Å; R493-D508 IonicContact CZ-OD1 2.76Å; R493-D508 IonicContact CZ-OD2 3.66Å; R493-D508 PolarHBondContact NH1-O 3.02Å; R493-D508 IonicContact NH1-OD1 2.73Å; R493-D508 PolarHBondContact NH1-OD1 2.97Å; R493-D508 IonicContact NH2-OD1 3.9Å; R493-D508 PolarHBondContact NH2-OD1 3.33Å; R493-D508 IonicContact NH2-OD2 3.25Å; R493-D508 PolarHBondContact NH2-OD2 2.89Å; R493-D508 VanDerWaalsContact NH2-OD2 3.08Å
494	L	92.4	Very high	82	Confident	78 Å²	78	74.9 Å²	74.9	41%	0.408	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	121.5	169.2	-175.8	73.5	0	0	0	108.6	D478 F480 G496	D478-L494 HydrophobicContact CB-CD1 3.76Å; F480-L494 HydrophobicContact CD1-CB 4.24Å; F480-L494 HydrophobicContact CD1-CD1 4.4Å; F480-L494 HydrophobicContact CE1-CB 4Å; F480-L494 HydrophobicContact CE1-CD1 3.98Å; F480-L494 HydrophobicContact CE2-CD1 4.28Å; F480-L494 HydrophobicContact CZ-CD1 3.91Å; L494-G496 WeakPolarHBondContact CD1-O 3.19Å
495	I	94.1	Very high	82.7	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-8.1	179.2	60.7	157.6	0	0	0	113.1	I479 Q481 R493 L504 N505 M509	I479-I495 HydrophobicContact CG2-CD1 4.27Å; I479-I495 HydrophobicContact CG2-CG1 4.05Å; I479-I495 WeakPolarHBondContact O-CG1 3.27Å; I479-I495 PolarHBondContact O-N 3.21Å; Q481-I495 HydrophobicContact CB-CD1 3.89Å; Q481-I495 HydrophobicContact CB-CG1 4.23Å; Q481-I495 HydrophobicContact CB-CG2 3.97Å; R493-I495 PolarHBondContact O-N 3.1Å; I495-L504 HydrophobicContact CD1-CD1 3.82Å; I495-L504 HydrophobicContact CG1-CD1 4.1Å; I495-N505 WeakPolarHBondContact O-CB 3.22Å; I495-N505 PolarHBondContact O-N 3.39Å; I495-M509 HydrophobicContact CD1-CE 3.73Å; I495-M509 HydrophobicContact CD1-CG 3.93Å; I495-M509 HydrophobicContact CD1-SD 3.97Å; I495-M509 HydrophobicContact CG2-CG 4.46Å
496	G	94.7	Very high	83.8	Confident	8 Å²	8	78.4 Å²	78.4	8%	0.082	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	176.8	-179.3	0	0	0	0	0	114.2	I479 L494 Q503	I479-G496 PolarHBondContact N-O 2.88Å; I479-G496 PolarHBondContact O-N 3.27Å; L494-G496 WeakPolarHBondContact CD1-O 3.19Å; G496-Q503 CarbonylContact C-O 3.59Å; G496-Q503 WeakPolarHBondContact CA-O 3.41Å
497	Q	95.4	Very high	85.4	Confident	60 Å²	60	78.1 Å²	78.1	28%	0.28	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.6	173.6	-68.7	-174.4	-16.8	0	0	109.9	Y477 D478 Q503	Y477-Q497 CarbonylContact O-C 3.49Å; Y477-Q497 WeakPolarHBondContact O-CA 3.39Å; D478-Q497 WeakPolarHBondContact OD1-CG 3.32Å; D478-Q497 PolarHBondContact OD1-NE2 2.68Å; Q497-Q503 PolarHBondContact N-O 2.8Å; Q497-Q503 PolarHBondContact O-N 2.87Å
498	W	95.8	Very high	87	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.015	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.9	173.9	-171.1	99.8	0	0	0	109.7	F204 Q207 A208 D211 R476 Y477 I479 D500 E501	F204-W498 HydrophobicContact CB-CH2 4.33Å; F204-W498 HydrophobicContact CB-CZ3 4.28Å; F204-W498 AromaticContact CD1-CH2 3.97Å; F204-W498 HydrophobicContact CD1-CH2 3.97Å; F204-W498 HydrophobicContact CD1-CZ3 4.39Å; Q207-W498 HydrophobicContact CB-CZ2 4.21Å; Q207-W498 HydrophobicContact CG-CZ2 3.78Å; A208-W498 HydrophobicContact CB-CB 4.16Å; A208-W498 HydrophobicContact CB-CD2 3.86Å; A208-W498 HydrophobicContact CB-CG 3.61Å; D211-W498 PolarHBondContact OD2-NE1 2.86Å; R476-W498 WeakPolarHBondContact CA-O 3.4Å; Y477-W498 HydrophobicContact CD2-CD2 4.46Å; Y477-W498 AromaticContact CD2-CE3 3.82Å; Y477-W498 HydrophobicContact CD2-CE3 3.82Å; Y477-W498 HydrophobicContact CD2-CZ3 4.47Å; Y477-W498 HydrophobicContact CE2-CE3 4.2Å; Y477-W498 HydrophobicContact CE2-CZ3 4.42Å; Y477-W498 PolarHBondContact N-O 3.27Å; Y477-W498 PolarHBondContact O-N 3.49Å; I479-W498 HydrophobicContact CD1-CB 4.37Å; W498-D500 VanDerWaalsContact CZ3-N 3.35Å; W498-E501 WeakPolarHBondContact CA-O 3.21Å
499	T	91.8	Very high	88.8	Confident	63 Å²	63	69.2 Å²	69.2	39%	0.387	36%	0.356	S	S	.	.	S	Bend	trans	-146.6	81.1	176.5	54.9	0	0	0	0	108.5	R476 E501	R476-T499 HydrophobicContact CB-CG2 4.36Å; R476-T499 HydrophobicContact CG-CG2 4.17Å; T499-E501 PolarHBondContact N-O 2.67Å; T499-E501 PolarHBondContact O-N 2.92Å
500	D	86.2	Confident	90.2	Very high	120 Å²	120	64.3 Å²	64.3	64%	0.642	33%	0.329	S	S	*	.	S	Bend	trans	62.3	-31	-167.3	-56.2	-46.7	0	0	0	114.9	W498	W498-D500 VanDerWaalsContact CZ3-N 3.35Å
501	E	91.3	Very high	91	Very high	147 Å²	147	60.6 Å²	60.6	69%	0.687	30%	0.304	S	S	*	.	S	Bend	trans	-116.6	153.9	167.4	-64.2	-178.6	175.9	0	0	111.3	W498 T499	W498-E501 WeakPolarHBondContact CA-O 3.21Å; T499-E501 PolarHBondContact N-O 2.67Å; T499-E501 PolarHBondContact O-N 2.92Å
502	L	94.9	Very high	90.8	Very high	43 Å²	43	60.8 Å²	60.8	23%	0.225	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129	177.1	175.1	62.4	0	0	0	112.1	D211 I212 A215 I479 L504	D211-L502 VanDerWaalsContact C-CD2 3.47Å; D211-L502 HydrophobicContact CB-CB 4.09Å; D211-L502 HydrophobicContact CB-CD2 3.88Å; D211-L502 WeakPolarHBondContact O-CD2 3.3Å; I212-L502 HydrophobicContact CG1-CD1 3.96Å; I212-L502 HydrophobicContact CG1-CD2 4.05Å; A215-L502 HydrophobicContact CB-CD2 3.82Å; I479-L502 HydrophobicContact CD1-CD1 3.23Å; L502-L504 HydrophobicContact CD1-CB 4.37Å; L502-L504 HydrophobicContact CG-CB 4.38Å
503	Q	95.3	Very high	90.1	Very high	119 Å²	119	68.2 Å²	68.2	56%	0.556	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.6	169.1	-61	-179.3	3	0	0	109.2	G496 Q497	G496-Q503 CarbonylContact C-O 3.59Å; G496-Q503 WeakPolarHBondContact CA-O 3.41Å; Q497-Q503 PolarHBondContact N-O 2.8Å; Q497-Q503 PolarHBondContact O-N 2.87Å
504	L	93.4	Very high	89.3	Confident	31 Å²	31	64.8 Å²	64.8	16%	0.162	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	122.1	-171.3	-163.5	72.2	0	0	0	112.1	A215 L216 I479 I495 L502 I506 M509	A215-L504 HydrophobicContact CB-CD2 4.42Å; L216-L504 HydrophobicContact CD2-CD2 4.37Å; I479-L504 HydrophobicContact CD1-CD1 4.32Å; I479-L504 HydrophobicContact CG2-CD1 4.19Å; I495-L504 HydrophobicContact CD1-CD1 3.82Å; I495-L504 HydrophobicContact CG1-CD1 4.1Å; L502-L504 HydrophobicContact CD1-CB 4.37Å; L502-L504 HydrophobicContact CG-CB 4.38Å; L504-I506 HydrophobicContact CD2-CG1 4.46Å; L504-I506 PolarHBondContact O-N 2.77Å; L504-I506 VanDerWaalsContact O-N 3.15Å; L504-M509 HydrophobicContact CD2-SD 4.1Å; L504-M509 HydrophobicContact CG-SD 4.35Å
505	N	92.6	Very high	88.8	Confident	93 Å²	93	64.5 Å²	64.5	50%	0.497	34%	0.337	S	S	.	.			trans	-85.1	80.1	179.5	-67.8	0.2	0	0	0	110.6	I495 E507 D508	I495-N505 WeakPolarHBondContact O-CB 3.22Å; I495-N505 PolarHBondContact O-N 3.39Å; N505-E507 PolarHBondContact O-N 2.8Å; N505-D508 HydrophobicContact CB-CB 4.17Å; N505-D508 PolarHBondContact O-N 3.07Å; N505-D508 VanDerWaalsContact O-N 3.08Å
506	I	88.7	Confident	88.4	Confident	78 Å²	78	72.6 Å²	72.6	40%	0.4	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-57.3	-34.3	-176.9	-58.9	176.2	0	0	0	112.3	L504 D508 M509 I518	L504-I506 HydrophobicContact CD2-CG1 4.46Å; L504-I506 PolarHBondContact O-N 2.77Å; L504-I506 VanDerWaalsContact O-N 3.15Å; I506-D508 PolarHBondContact O-N 2.81Å; I506-M509 WeakPolarHBondContact O-CB 3.5Å; I506-M509 PolarHBondContact O-N 3.17Å; I506-M509 VanDerWaalsContact O-N 3.14Å; I506-I518 HydrophobicContact CG2-CD1 4.04Å
507	E	86.6	Confident	88.2	Confident	171 Å²	171	80 Å²	80	80%	0.799	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-64.8	-23.9	179.4	-61.6	-172	-177.6	0	0	114.5	N505 R516	N505-E507 PolarHBondContact O-N 2.8Å; E507-R516 PolarHBondContact O-NH1 2.87Å
508	D	86.8	Confident	88	Confident	48 Å²	48	79.2 Å²	79.2	26%	0.257	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-88	-8.6	178	-88	-27.5	0	0	0	113.3	Q483 R493 N505 I506	Q483-D508 PolarHBondContact NE2-O 2.67Å; R493-D508 IonicContact CZ-OD1 2.76Å; R493-D508 IonicContact CZ-OD2 3.66Å; R493-D508 PolarHBondContact NH1-O 3.02Å; R493-D508 IonicContact NH1-OD1 2.73Å; R493-D508 PolarHBondContact NH1-OD1 2.97Å; R493-D508 IonicContact NH2-OD1 3.9Å; R493-D508 PolarHBondContact NH2-OD1 3.33Å; R493-D508 IonicContact NH2-OD2 3.25Å; R493-D508 PolarHBondContact NH2-OD2 2.89Å; R493-D508 VanDerWaalsContact NH2-OD2 3.08Å; N505-D508 HydrophobicContact CB-CB 4.17Å; N505-D508 PolarHBondContact O-N 3.07Å; N505-D508 VanDerWaalsContact O-N 3.08Å; I506-D508 PolarHBondContact O-N 2.81Å
509	M	89.5	Confident	87.8	Confident	1 Å²	1	80 Å²	80	1%	0.005	40%	0.402	C	S	.	.			trans	-76.4	143.2	-178.6	-61.5	-173.7	69.8	0	0	111.9	L216 I334 Q481 I495 L504 I506 W511	L216-M509 HydrophobicContact CD2-CE 3.87Å; L216-M509 HydrophobicContact CD2-SD 3.96Å; I334-M509 HydrophobicContact CD1-CE 3.59Å; I334-M509 HydrophobicContact CG1-CE 4.19Å; Q481-M509 VanDerWaalsContact OE1-CA 3.32Å; I495-M509 HydrophobicContact CD1-CE 3.73Å; I495-M509 HydrophobicContact CD1-CG 3.93Å; I495-M509 HydrophobicContact CD1-SD 3.97Å; I495-M509 HydrophobicContact CG2-CG 4.46Å; L504-M509 HydrophobicContact CD2-SD 4.1Å; L504-M509 HydrophobicContact CG-SD 4.35Å; I506-M509 WeakPolarHBondContact O-CB 3.5Å; I506-M509 PolarHBondContact O-N 3.17Å; I506-M509 VanDerWaalsContact O-N 3.14Å; M509-W511 HydrophobicContact CE-CH2 3.92Å; M509-W511 HydrophobicContact CE-CZ2 3.57Å
510	Q	88.9	Confident	87.9	Confident	33 Å²	33	80.7 Å²	80.7	15%	0.154	41%	0.408	C	S	.	.			trans	-140.8	140.7	179.1	-64.5	-175.7	84	0	0	110.2	G332 Q481 Q483 T485	G332-Q510 WeakPolarHBondContact CA-O 3.45Å; Q481-Q510 VanDerWaalsContact CD-O 3.25Å; Q481-Q510 PolarHBondContact NE2-O 2.91Å; Q481-Q510 VanDerWaalsContact NE2-O 3.1Å; Q481-Q510 PolarHBondContact OE1-O 3.04Å; Q483-Q510 HydrophobicContact CG-CB 4.28Å; T485-Q510 PolarHBondContact OG1-NE2 2.97Å; T485-Q510 PolarHBondContact OG1-OE1 3.16Å
511	W	88.7	Confident	88.2	Confident	4 Å²	4	75 Å²	75	2%	0.015	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-122.1	169.4	-178.3	-50.3	96.1	0	0	0	110.1	L216 W218 L309 G332 I334 M509 K513 G514 V515 I518 P519	L216-W511 HydrophobicContact CD1-CH2 4.25Å; L216-W511 HydrophobicContact CD2-CZ2 4.29Å; W218-W511 AromaticContact CH2-CH2 3.75Å; W218-W511 HydrophobicContact CH2-CH2 3.75Å; W218-W511 HydrophobicContact CH2-CZ3 4.1Å; W218-W511 AromaticContact CZ2-CH2 3.62Å; W218-W511 HydrophobicContact CZ2-CH2 3.62Å; W218-W511 HydrophobicContact CZ2-CZ2 4.36Å; W218-W511 HydrophobicContact CZ2-CZ3 4.09Å; L309-W511 HydrophobicContact CD2-CE3 4.12Å; L309-W511 HydrophobicContact CD2-CZ3 4.28Å; G332-W511 VanDerWaalsContact O-CZ3 3.31Å; G332-W511 WeakPolarHBondContact O-CZ3 3.24Å; I334-W511 HydrophobicContact CD1-CH2 3.91Å; M509-W511 HydrophobicContact CE-CH2 3.92Å; M509-W511 HydrophobicContact CE-CZ2 3.57Å; W511-K513 PolarHBondContact O-N 2.8Å; W511-G514 WeakPolarHBondContact O-CA 3.45Å; W511-G514 PolarHBondContact O-N 3.25Å; W511-V515 PolarHBondContact N-O 2.74Å; W511-V515 PolarHBondContact O-N 3.34Å; W511-I518 HydrophobicContact CZ2-CG1 4.44Å; W511-I518 HydrophobicContact CZ2-CG2 4.08Å; W511-P519 HydrophobicContact CB-CG 3.99Å; W511-P519 VanDerWaalsContact CD2-CD 3.44Å; W511-P519 HydrophobicContact CD2-CG 3.99Å; W511-P519 HydrophobicContact CE3-CG 4.33Å; W511-P519 HydrophobicContact CG-CG 3.83Å
512	G	79.4	Confident	88.3	Confident	28 Å²	28	69.3 Å²	69.3	29%	0.289	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-32.7	122.2	-175.7	0	0	0	0	0	115.5	E331	E331-G512 VanDerWaalsContact CD-CA 3.49Å; E331-G512 WeakPolarHBondContact OE2-CA 3.4Å
513	K	74.5	Confident	87.9	Confident	202 Å²	202	67.9 Å²	67.9	88%	0.878	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	26.2	-176	-48.7	174.1	-176.5	173.9	0	114.7	E331 W511	E331-K513 VanDerWaalsContact CD-N 3.34Å; E331-K513 PolarHBondContact OE1-N 2.65Å; E331-K513 PolarHBondContact OE2-N 3.42Å; E331-K513 VanDerWaalsContact OE2-N 3.1Å; W511-K513 PolarHBondContact O-N 2.8Å
514	G	73.5	Confident	87.4	Confident	29 Å²	29	64.1 Å²	64.1	30%	0.299	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	21.2	176.7	0	0	0	0	0	115.5	W511	W511-G514 WeakPolarHBondContact O-CA 3.45Å; W511-G514 PolarHBondContact O-N 3.25Å
515	V	83.9	Confident	87	Confident	72 Å²	72	68.4 Å²	68.4	44%	0.436	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-71.4	133.4	174.7	177.1	0	0	0	0	109.4	W511 E517	W511-V515 PolarHBondContact N-O 2.74Å; W511-V515 PolarHBondContact O-N 3.34Å; V515-E517 HydrophobicContact CG1-CB 4.21Å
516	R	85.4	Confident	86.7	Confident	171 Å²	171	68.8 Å²	68.8	65%	0.645	36%	0.361	S	S	*	.			trans	-98	-22.2	176.5	-64.7	-169.1	-176.2	-156.2	3.4	114.4	E507 I518	E507-R516 PolarHBondContact O-NH1 2.87Å; R516-I518 PolarHBondContact O-N 3.24Å
517	E	89.9	Confident	86.6	Confident	162 Å²	162	66.3 Å²	66.3	76%	0.757	35%	0.351	S	S	*	.	S	Bend	trans	-65.4	132.3	173.5	-173.4	175.1	-170.1	0	0	109.9	V515 P519	V515-E517 HydrophobicContact CG1-CB 4.21Å; E517-P519 VanDerWaalsContact O-CD 3.27Å; E517-P519 WeakPolarHBondContact O-CD 3.45Å
518	I	91.6	Very high	86.8	Confident	45 Å²	45	65.5 Å²	65.5	23%	0.231	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-68.6	118.4	-176.9	-60	167.8	0	0	0	109	L216 W218 I506 W511 R516	L216-I518 HydrophobicContact CB-CG2 4.17Å; L216-I518 HydrophobicContact CD2-CD1 3.81Å; L216-I518 HydrophobicContact CD2-CG1 4.29Å; L216-I518 HydrophobicContact CD2-CG2 4.25Å; W218-I518 HydrophobicContact CZ2-CG2 4.42Å; I506-I518 HydrophobicContact CG2-CD1 4.04Å; W511-I518 HydrophobicContact CZ2-CG1 4.44Å; W511-I518 HydrophobicContact CZ2-CG2 4.08Å; R516-I518 PolarHBondContact O-N 3.24Å
519	P	92	Very high	86.7	Confident	20 Å²	20	67.6 Å²	67.6	13%	0.13	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66.3	131	179.5	-18.7	31.8	0	0	0	110.1	W218 L309 W511 E517	W218-P519 PolarHBondContact NE1-O 3.31Å; L309-P519 HydrophobicContact CD1-CB 3.94Å; L309-P519 HydrophobicContact CD2-CB 4.08Å; L309-P519 HydrophobicContact CD2-CG 4.02Å; W511-P519 HydrophobicContact CB-CG 3.99Å; W511-P519 VanDerWaalsContact CD2-CD 3.44Å; W511-P519 HydrophobicContact CD2-CG 3.99Å; W511-P519 HydrophobicContact CE3-CG 4.33Å; W511-P519 HydrophobicContact CG-CG 3.83Å; E517-P519 VanDerWaalsContact O-CD 3.27Å; E517-P519 WeakPolarHBondContact O-CD 3.45Å
520	P	92.1	Very high	86.6	Confident	78 Å²	78	67.8 Å²	67.8	51%	0.506	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-74.9	137.2	-174.1	27.8	-34.7	0	0	0	112.5	V522	P520-V522 HydrophobicContact CB-CG2 4.43Å
521	S	94.1	Very high	86.7	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.367	C	S	.	.			trans	-121.8	89.5	165.5	-162.8	0	0	0	0	108.9	N219 Y220 R281 A282	N219-S521 PolarHBondContact N-O 3.05Å; N219-S521 VanDerWaalsContact N-O 3.1Å; Y220-S521 PolarHBondContact N-O 3.32Å; Y220-S521 WeakPolarHBondContact O-CB 3.35Å; Y220-S521 PolarHBondContact O-OG 3.45Å; R281-S521 PolarHBondContact N-OG 3.05Å; A282-S521 PolarHBondContact N-OG 2.72Å
522	V	91.6	Very high	86.7	Confident	28 Å²	28	72.5 Å²	72.5	17%	0.17	38%	0.382	C	S	.	.			trans	-139.4	141	-172.4	-60.6	0	0	0	0	111.1	N219 P520 T524 L525	N219-V522 VanDerWaalsContact OD1-CA 3.23Å; N219-V522 WeakPolarHBondContact OD1-CA 3.08Å; N219-V522 WeakPolarHBondContact OD1-CB 3.33Å; P520-V522 HydrophobicContact CB-CG2 4.43Å; V522-T524 PolarHBondContact O-N 2.04Å; V522-L525 HydrophobicContact CG2-CD2 4.3Å
523	C	87.7	Confident	87.2	Confident	13 Å²	13	72.5 Å²	72.5	9%	0.088	37%	0.374	C	S	.	.	S	Bend	trans	-65.3	-40.1	-171.9	-172.6	0	0	0	0	112.5	N219 Y220 N279 C541 C542	N219-C523 PolarHBondContact OD1-N 2.9Å; Y220-C523 HydrophobicContact CD1-CB 3.89Å; Y220-C523 HydrophobicContact CD2-CB 3.65Å; Y220-C523 HydrophobicContact CE1-CB 4.22Å; Y220-C523 HydrophobicContact CE2-CB 4.01Å; Y220-C523 HydrophobicContact CG-CB 3.58Å; N279-C523 PolarHBondContact ND2-O 3.32Å; C523-C541 WeakPolarHBondContact CB-O 3.5Å; C523-C542 HydrophobicContact CB-CB 3.99Å; C523-C542 WeakPolarHBondContact CB-SG 3.03Å; C523-C542 WeakPolarHBondContact SG-CB 3.23Å; C523-C542 CovalentContact SG-SG 2.03Å; C523-C542 PolarHBondContact SG-SG 3.33Å
524	T	85	Confident	87.8	Confident	40 Å²	40	67.7 Å²	67.7	25%	0.245	35%	0.353	C	S	.	.	S	Bend	trans	-141.4	144	175.4	-42.3	0	0	0	0	109.3	V522 W543	V522-T524 PolarHBondContact O-N 2.04Å; T524-W543 WeakPolarHBondContact CG2-O 3.03Å; T524-W543 WeakPolarHBondContact O-CZ2 3.4Å; T524-W543 PolarHBondContact OG1-O 3.28Å
525	L	84.7	Confident	88.3	Confident	120 Å²	120	69.9 Å²	69.9	63%	0.628	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-65.9	160	172.9	-64.8	174.9	0	0	0	111.1	V522 W543	V522-L525 HydrophobicContact CG2-CD2 4.3Å; L525-W543 PolarHBondContact O-NE1 3.09Å
526	P	85.4	Confident	88.1	Confident	101 Å²	101	72 Å²	72	66%	0.656	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-53.8	139.8	169.4	-25.3	35.2	0	0	0	111.9
527	C	88.4	Confident	87.6	Confident	26 Å²	26	74 Å²	74	18%	0.176	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-70.1	153.7	177.8	-60.6	0	0	0	0	111.5	Q531 K533 C545	C527-Q531 HydrophobicContact CB-CB 4.1Å; C527-K533 HydrophobicContact CB-CG 4.5Å; C527-C545 WeakPolarHBondContact CA-SG 3.01Å; C527-C545 HydrophobicContact CB-CB 3.73Å; C527-C545 WeakPolarHBondContact CB-SG 3.29Å; C527-C545 VanDerWaalsContact SG-CA 3.5Å; C527-C545 WeakPolarHBondContact SG-CB 3.48Å; C527-C545 CovalentContact SG-SG 2.04Å; C527-C545 PolarHBondContact SG-SG 2.04Å
528	K	88.8	Confident	86.6	Confident	154 Å²	154	70.1 Å²	70.1	67%	0.67	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-74.1	154.6	176.5	-64.4	-175.7	177.8	-177	0	110.5	G530 Q531	K528-G530 PolarHBondContact O-N 3.01Å; K528-Q531 HydrophobicContact CB-CG 4.44Å; K528-Q531 VanDerWaalsContact O-CB 3.27Å; K528-Q531 WeakPolarHBondContact O-CB 3.4Å; K528-Q531 PolarHBondContact O-N 2.91Å; K528-Q531 VanDerWaalsContact O-N 3.09Å
529	P	86.3	Confident	85.8	Confident	92 Å²	92	70.1 Å²	70.1	60%	0.597	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	139.5	169.6	-26.8	35.4	0	0	0	111.9	Q531 N572 T574	P529-Q531 VanDerWaalsContact C-N 3.33Å; P529-N572 CarbonylContact C-O 3.4Å; P529-T574 HydrophobicContact CB-CG2 3.8Å
530	G	85.8	Confident	85	Confident	6 Å²	6	73.9 Å²	73.9	6%	0.062	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	6.3	-173.8	0	0	0	0	0	114.4	K528 C548 N572	K528-G530 PolarHBondContact O-N 3.01Å; G530-C548 PolarHBondContact O-N 3.19Å; G530-N572 VanDerWaalsContact CA-O 3.23Å; G530-N572 WeakPolarHBondContact CA-O 3.42Å; G530-N572 PolarHBondContact N-O 2.89Å
531	Q	91	Very high	84.6	Confident	51 Å²	51	70.7 Å²	70.7	24%	0.238	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.1	175.2	-52.6	-178.3	-36.8	0	0	111.1	C527 K528 P529 C545 E546 Q554	C527-Q531 HydrophobicContact CB-CB 4.1Å; K528-Q531 HydrophobicContact CB-CG 4.44Å; K528-Q531 VanDerWaalsContact O-CB 3.27Å; K528-Q531 WeakPolarHBondContact O-CB 3.4Å; K528-Q531 PolarHBondContact O-N 2.91Å; K528-Q531 VanDerWaalsContact O-N 3.09Å; P529-Q531 VanDerWaalsContact C-N 3.33Å; Q531-C545 HydrophobicContact CB-CB 4.36Å; Q531-E546 CarbonylContact C-O 3.48Å; Q531-E546 VanDerWaalsContact CA-O 3.23Å; Q531-E546 WeakPolarHBondContact CA-O 3.35Å; Q531-Q554 PolarHBondContact O-NE2 3.05Å
532	R	89.2	Confident	84.3	Confident	84 Å²	84	70.9 Å²	70.9	32%	0.317	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.9	169.3	65.3	169.6	-176.8	-157.5	-3.9	111.8	C545 E546 E557	R532-C545 WeakPolarHBondContact O-CA 3.27Å; R532-E546 HydrophobicContact CG-CB 4.13Å; R532-E546 IonicContact CZ-OE2 3.62Å; R532-E546 PolarHBondContact N-O 2.03Å; R532-E546 IonicContact NE-OE2 2.82Å; R532-E546 PolarHBondContact NE-OE2 2.92Å; R532-E546 VanDerWaalsContact NE-OE2 3.15Å; R532-E546 IonicContact NH2-OE2 3.66Å; R532-E546 PolarHBondContact NH2-OE2 3.28Å; R532-E546 PolarHBondContact O-N 2.85Å; R532-E557 CarbonylContact C-O 3.53Å; R532-E557 WeakPolarHBondContact CA-O 3.18Å
533	K	89.6	Confident	84.1	Confident	29 Å²	29	71.4 Å²	71.4	13%	0.126	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.4	164.7	-64.4	175.7	-172.3	173.8	0	109.3	C527 W543 E557 M558	C527-K533 HydrophobicContact CB-CG 4.5Å; K533-W543 HydrophobicContact CB-CB 4.1Å; K533-W543 HydrophobicContact CB-CG 4.08Å; K533-W543 HydrophobicContact CD-CD2 4.14Å; K533-W543 HydrophobicContact CD-CG 4.36Å; K533-W543 HydrophobicContact CG-CD2 4.31Å; K533-W543 HydrophobicContact CG-CG 4.01Å; K533-E557 HydrophobicContact CD-CB 4.25Å; K533-E557 VanDerWaalsContact CE-OE1 3.22Å; K533-E557 WeakPolarHBondContact CE-OE1 3.46Å; K533-E557 PolarHBondContact N-O 3.35Å; K533-E557 IonicContact NZ-OE1 3.75Å; K533-E557 PolarHBondContact NZ-OE1 2.8Å; K533-E557 IonicContact NZ-OE2 3.92Å; K533-E557 PolarHBondContact NZ-OE2 2.78Å; K533-M558 HydrophobicContact CB-SD 3.66Å
534	K	88.1	Confident	84.2	Confident	101 Å²	101	74.8 Å²	74.8	44%	0.439	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	105.5	171.2	176.9	172.6	172.2	176.9	0	108.9	W543 T544 E546	K534-W543 CarbonylContact O-C 3.59Å; K534-W543 VanDerWaalsContact O-CA 3.27Å; K534-W543 WeakPolarHBondContact O-CA 3.03Å; K534-T544 PolarHBondContact N-O 3.47Å; K534-T544 PolarHBondContact O-N 3.24Å; K534-E546 HydrophobicContact CB-CG 4.47Å; K534-E546 HydrophobicContact CD-CG 4.09Å; K534-E546 WeakPolarHBondContact CD-OE1 3.06Å; K534-E546 VanDerWaalsContact CD-OE2 3.31Å; K534-E546 WeakPolarHBondContact CD-OE2 3.4Å; K534-E546 WeakPolarHBondContact CE-OE1 3.34Å; K534-E546 IonicContact NZ-OE1 2.75Å; K534-E546 PolarHBondContact NZ-OE1 2.84Å; K534-E546 IonicContact NZ-OE2 3.47Å
535	T	84.7	Confident	84.4	Confident	74 Å²	74	74.7 Å²	74.7	45%	0.454	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.3	-178.1	41.8	0	0	0	0	111.9	C542 M558	T535-C542 WeakPolarHBondContact CA-O 3.27Å; T535-M558 HydrophobicContact CG2-CE 4.2Å
536	Q	79.4	Confident	84.7	Confident	117 Å²	117	71.3 Å²	71.3	55%	0.547	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.9	179.7	-167.3	172.1	7.6	0	0	110.4	G538 T539 C542	Q536-G538 PolarHBondContact O-N 3.14Å; Q536-G538 VanDerWaalsContact O-N 3.1Å; Q536-T539 PolarHBondContact O-N 3.01Å; Q536-C542 HydrophobicContact CB-CB 4.41Å; Q536-C542 PolarHBondContact N-O 3.47Å
537	K	73.4	Confident	84.9	Confident	213 Å²	213	70.5 Å²	70.5	93%	0.926	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	116	175.9	-71.5	-173.4	176.2	-176.2	0	109.9
538	G	70.3	Confident	84.9	Confident	80 Å²	80	69.2 Å²	69.2	83%	0.825	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.1	-30.4	178.4	0	0	0	0	0	114.5	Q536	Q536-G538 PolarHBondContact O-N 3.14Å; Q536-G538 VanDerWaalsContact O-N 3.1Å
539	T	73.5	Confident	84.7	Confident	46 Å²	46	67 Å²	67	28%	0.282	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	96.5	-172.9	-43.8	0	0	0	0	110.8	C249 Q536 C541 C542	C249-T539 HydrophobicContact CB-CG2 4.19Å; Q536-T539 PolarHBondContact O-N 3.01Å; T539-C541 VanDerWaalsContact C-N 3.3Å; T539-C541 PolarHBondContact O-N 2.69Å; T539-C542 HydrophobicContact CG2-CB 4.23Å; T539-C542 WeakPolarHBondContact CG2-SG 3.23Å; T539-C542 PolarHBondContact O-N 3.1Å; T539-C542 VanDerWaalsContact O-N 3.14Å
540	P	76.4	Confident	84.7	Confident	98 Å²	98	63.6 Å²	63.6	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	-25.4	-167.8	24.8	-33.7	0	0	0	114.5	C542	P540-C542 VanDerWaalsContact C-N 3.28Å; P540-C542 PolarHBondContact O-N 2.65Å
541	C	83.6	Confident	84.8	Confident	12 Å²	12	64.9 Å²	64.9	8%	0.081	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-0.5	178.5	-33.3	0	0	0	0	113.7	C249 C523 T539	C249-C541 HydrophobicContact CB-CB 3.67Å; C249-C541 WeakPolarHBondContact CB-SG 3.22Å; C249-C541 PolarHBondContact N-SG 3.29Å; C249-C541 WeakPolarHBondContact SG-CB 3.06Å; C249-C541 PolarHBondContact SG-N 3.41Å; C249-C541 CovalentContact SG-SG 2.04Å; C249-C541 PolarHBondContact SG-SG 3.19Å; C523-C541 WeakPolarHBondContact CB-O 3.5Å; T539-C541 VanDerWaalsContact C-N 3.3Å; T539-C541 PolarHBondContact O-N 2.69Å
542	C	87.1	Confident	84.8	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	178.7	-59.1	0	0	0	0	109.8	C523 T535 Q536 T539 P540	C523-C542 HydrophobicContact CB-CB 3.99Å; C523-C542 WeakPolarHBondContact CB-SG 3.03Å; C523-C542 WeakPolarHBondContact SG-CB 3.23Å; C523-C542 CovalentContact SG-SG 2.03Å; C523-C542 PolarHBondContact SG-SG 3.33Å; T535-C542 WeakPolarHBondContact CA-O 3.27Å; Q536-C542 HydrophobicContact CB-CB 4.41Å; Q536-C542 PolarHBondContact N-O 3.47Å; T539-C542 HydrophobicContact CG2-CB 4.23Å; T539-C542 WeakPolarHBondContact CG2-SG 3.23Å; T539-C542 PolarHBondContact O-N 3.1Å; T539-C542 VanDerWaalsContact O-N 3.14Å; P540-C542 VanDerWaalsContact C-N 3.28Å; P540-C542 PolarHBondContact O-N 2.65Å
543	W	87.9	Confident	84.9	Confident	40 Å²	40	62.7 Å²	62.7	15%	0.152	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.6	178.9	53.5	75.9	0	0	0	111.4	T524 L525 K533 K534	T524-W543 WeakPolarHBondContact CG2-O 3.03Å; T524-W543 WeakPolarHBondContact O-CZ2 3.4Å; T524-W543 PolarHBondContact OG1-O 3.28Å; L525-W543 PolarHBondContact O-NE1 3.09Å; K533-W543 HydrophobicContact CB-CB 4.1Å; K533-W543 HydrophobicContact CB-CG 4.08Å; K533-W543 HydrophobicContact CD-CD2 4.14Å; K533-W543 HydrophobicContact CD-CG 4.36Å; K533-W543 HydrophobicContact CG-CD2 4.31Å; K533-W543 HydrophobicContact CG-CG 4.01Å; K534-W543 CarbonylContact O-C 3.59Å; K534-W543 VanDerWaalsContact O-CA 3.27Å; K534-W543 WeakPolarHBondContact O-CA 3.03Å
544	T	88.9	Confident	85	Confident	84 Å²	84	63.3 Å²	63.3	52%	0.515	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.2	163.6	-52	0	0	0	0	108.8	K534	K534-T544 PolarHBondContact N-O 3.47Å; K534-T544 PolarHBondContact O-N 3.24Å
545	C	90.6	Very high	84.9	Confident	38 Å²	38	64.3 Å²	64.3	26%	0.257	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.7	173.1	-58.2	0	0	0	0	109.8	C527 Q531 R532	C527-C545 WeakPolarHBondContact CA-SG 3.01Å; C527-C545 HydrophobicContact CB-CB 3.73Å; C527-C545 WeakPolarHBondContact CB-SG 3.29Å; C527-C545 VanDerWaalsContact SG-CA 3.5Å; C527-C545 WeakPolarHBondContact SG-CB 3.48Å; C527-C545 CovalentContact SG-SG 2.04Å; C527-C545 PolarHBondContact SG-SG 2.04Å; Q531-C545 HydrophobicContact CB-CB 4.36Å; R532-C545 WeakPolarHBondContact O-CA 3.27Å
546	E	89.9	Confident	85	Confident	49 Å²	49	64.4 Å²	64.4	23%	0.229	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.2	174.3	-69.2	-171.8	154.9	0	0	110.1	Q531 R532 K534	Q531-E546 CarbonylContact C-O 3.48Å; Q531-E546 VanDerWaalsContact CA-O 3.23Å; Q531-E546 WeakPolarHBondContact CA-O 3.35Å; R532-E546 HydrophobicContact CG-CB 4.13Å; R532-E546 IonicContact CZ-OE2 3.62Å; R532-E546 PolarHBondContact N-O 2.03Å; R532-E546 IonicContact NE-OE2 2.82Å; R532-E546 PolarHBondContact NE-OE2 2.92Å; R532-E546 VanDerWaalsContact NE-OE2 3.15Å; R532-E546 IonicContact NH2-OE2 3.66Å; R532-E546 PolarHBondContact NH2-OE2 3.28Å; R532-E546 PolarHBondContact O-N 2.85Å; K534-E546 HydrophobicContact CB-CG 4.47Å; K534-E546 HydrophobicContact CD-CG 4.09Å; K534-E546 WeakPolarHBondContact CD-OE1 3.06Å; K534-E546 VanDerWaalsContact CD-OE2 3.31Å; K534-E546 WeakPolarHBondContact CD-OE2 3.4Å; K534-E546 WeakPolarHBondContact CE-OE1 3.34Å; K534-E546 IonicContact NZ-OE1 2.75Å; K534-E546 PolarHBondContact NZ-OE1 2.84Å; K534-E546 IonicContact NZ-OE2 3.47Å
547	P	89.5	Confident	85.3	Confident	83 Å²	83	63.6 Å²	63.6	54%	0.539	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.7	172.6	29.1	-34	0	0	0	111.2
548	C	88.9	Confident	85.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-71	126	165.8	-60.1	0	0	0	0	108.7	G530 Q552 C560 R573	G530-C548 PolarHBondContact O-N 3.19Å; C548-Q552 HydrophobicContact CB-CB 4.03Å; C548-C560 WeakPolarHBondContact CA-SG 3.49Å; C548-C560 HydrophobicContact CB-CB 3.66Å; C548-C560 WeakPolarHBondContact CB-SG 3.42Å; C548-C560 WeakPolarHBondContact SG-CB 3.21Å; C548-C560 CovalentContact SG-SG 2.03Å; C548-C560 PolarHBondContact SG-SG 3.19Å; C548-R573 VanDerWaalsContact O-CD 3.22Å; C548-R573 WeakPolarHBondContact O-CD 3.16Å; C548-R573 PolarHBondContact O-NH1 3.35Å
549	D	85.2	Confident	86.8	Confident	107 Å²	107	56.3 Å²	56.3	57%	0.572	30%	0.303	S	S	*	.			trans	-119.1	157.8	-167.6	-158.3	33.6	0	0	0	116.9	Y551 Q552 R573	D549-Y551 PolarHBondContact O-N 2.84Å; D549-Q552 VanDerWaalsContact O-CB 3.27Å; D549-Q552 WeakPolarHBondContact O-CB 3.04Å; D549-Q552 VanDerWaalsContact O-CG 3.29Å; D549-Q552 WeakPolarHBondContact O-CG 3.45Å; D549-Q552 PolarHBondContact O-N 3.19Å; D549-R573 IonicContact OD1-CZ 3.46Å; D549-R573 IonicContact OD1-NH1 2.7Å; D549-R573 PolarHBondContact OD1-NH1 3.08Å
550	G	86.1	Confident	87.7	Confident	20 Å²	20	55.1 Å²	55.1	21%	0.206	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-128	-170.8	0	0	0	0	0	111.1	Q552 P740	G550-Q552 PolarHBondContact O-N 3.14Å; G550-P740 VanDerWaalsContact O-CG 3.23Å; G550-P740 WeakPolarHBondContact O-CG 3.27Å
551	Y	87.9	Confident	88.4	Confident	34 Å²	34	54.1 Å²	54.1	13%	0.133	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	24.8	178.4	-68.5	-101.5	0	0	0	113.2	D549 H562 C563 R568 K736 T737 P740 A743	D549-Y551 PolarHBondContact O-N 2.84Å; Y551-H562 WeakPolarHBondContact O-CA 3.29Å; Y551-C563 PolarHBondContact O-N 2.92Å; Y551-R568 HydrophobicContact CD1-CB 4.32Å; Y551-R568 HydrophobicContact CE1-CB 4.21Å; Y551-K736 HydrophobicContact CE1-CG 4.27Å; Y551-K736 VanDerWaalsContact OH-CG 3.32Å; Y551-K736 WeakPolarHBondContact OH-CG 3.32Å; Y551-T737 WeakPolarHBondContact CE2-O 3.49Å; Y551-T737 PolarHBondContact OH-O 3.17Å; Y551-P740 HydrophobicContact CD1-CB 4.34Å; Y551-P740 HydrophobicContact CD2-CG 4.22Å; Y551-P740 HydrophobicContact CE1-CB 4.08Å; Y551-P740 HydrophobicContact CE2-CG 4.2Å; Y551-P740 HydrophobicContact CG-CG 4.39Å; Y551-A743 HydrophobicContact CE1-CB 4.37Å; Y551-A743 VanDerWaalsContact OH-CB 3.24Å; Y551-A743 WeakPolarHBondContact OH-CB 3.3Å
552	Q	90.2	Very high	88.8	Confident	46 Å²	46	59.5 Å²	59.5	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.3	176.1	-64.3	-179	-4.4	0	0	112.7	C548 D549 G550 C560 Q561 H562	C548-Q552 HydrophobicContact CB-CB 4.03Å; D549-Q552 VanDerWaalsContact O-CB 3.27Å; D549-Q552 WeakPolarHBondContact O-CB 3.04Å; D549-Q552 VanDerWaalsContact O-CG 3.29Å; D549-Q552 WeakPolarHBondContact O-CG 3.45Å; D549-Q552 PolarHBondContact O-N 3.19Å; G550-Q552 PolarHBondContact O-N 3.14Å; Q552-C560 HydrophobicContact CB-CB 4.2Å; Q552-Q561 CarbonylContact C-O 3.57Å; Q552-Q561 WeakPolarHBondContact CA-O 3.45Å; Q552-H562 VanDerWaalsContact CG-CE1 3.46Å; Q552-H562 WeakPolarHBondContact CG-CE1 3.41Å; Q552-H562 PolarHBondContact NE2-CE1 2.76Å; Q552-H562 PolarHBondContact NE2-NE2 2.8Å
553	Y	91.3	Very high	88.9	Confident	42 Å²	42	60 Å²	60	17%	0.165	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.3	169.3	75	-76	0	0	0	110	F555 C560 Q561 R573 C576	Y553-F555 HydrophobicContact CE2-CB 4.09Å; Y553-F555 HydrophobicContact CE2-CD2 4.24Å; Y553-F555 PolarHBondContact O-N 3.32Å; Y553-F555 WeakPolarHBondContact OH-CD2 3.22Å; Y553-C560 CarbonylContact O-C 3.57Å; Y553-C560 VanDerWaalsContact O-CA 3.23Å; Y553-C560 WeakPolarHBondContact O-CA 3.04Å; Y553-Q561 WeakPolarHBondContact CD1-O 3.33Å; Y553-Q561 HydrophobicContact CE1-CB 3.86Å; Y553-Q561 PolarHBondContact N-O 2.81Å; Y553-Q561 PolarHBondContact O-N 3.24Å; Y553-R573 CarbonylContact C-O 3.59Å; Y553-R573 WeakPolarHBondContact CA-O 3.21Å; Y553-R573 WeakPolarHBondContact CB-O 3.22Å; Y553-C576 WeakPolarHBondContact CD1-SG 3.34Å
554	Q	91.8	Very high	89	Confident	42 Å²	42	61.2 Å²	61.2	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	110.4	172.2	-176.9	-175.1	2.4	0	0	108.9	Q531 D556 R573	Q531-Q554 PolarHBondContact O-NE2 3.05Å; Q554-D556 WeakPolarHBondContact CG-O 3.31Å; Q554-R573 PolarHBondContact N-O 3.29Å
555	F	86.9	Confident	88.8	Confident	123 Å²	123	62.4 Å²	62.4	54%	0.539	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-36.9	174.9	175.1	-95.4	0	0	0	111.4	Y553 T559 Q561	Y553-F555 HydrophobicContact CE2-CB 4.09Å; Y553-F555 HydrophobicContact CE2-CD2 4.24Å; Y553-F555 PolarHBondContact O-N 3.32Å; Y553-F555 WeakPolarHBondContact OH-CD2 3.22Å; F555-T559 PolarHBondContact N-O 3.01Å; F555-Q561 HydrophobicContact CB-CB 4.16Å; F555-Q561 HydrophobicContact CB-CG 3.73Å; F555-Q561 VanDerWaalsContact CG-CD 3.5Å; F555-Q561 HydrophobicContact CG-CG 4.07Å
556	D	85.8	Confident	88.5	Confident	76 Å²	76	64.1 Å²	64.1	41%	0.406	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.3	178.6	164	58.1	0	0	0	108.9	Q554 M558 T559	Q554-D556 WeakPolarHBondContact CG-O 3.31Å; D556-M558 PolarHBondContact O-N 2.97Å; D556-M558 VanDerWaalsContact O-N 3.14Å; D556-M558 PolarHBondContact OD2-N 2.03Å; D556-T559 PolarHBondContact N-O 2.91Å; D556-T559 PolarHBondContact O-N 2.92Å; D556-T559 VanDerWaalsContact O-O 3.14Å
557	E	85.2	Confident	88.4	Confident	100 Å²	100	63.9 Å²	63.9	47%	0.467	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.4	176.8	-66	-157	118.4	0	0	113.5	R532 K533	R532-E557 CarbonylContact C-O 3.53Å; R532-E557 WeakPolarHBondContact CA-O 3.18Å; K533-E557 HydrophobicContact CD-CB 4.25Å; K533-E557 VanDerWaalsContact CE-OE1 3.22Å; K533-E557 WeakPolarHBondContact CE-OE1 3.46Å; K533-E557 PolarHBondContact N-O 3.35Å; K533-E557 IonicContact NZ-OE1 3.75Å; K533-E557 PolarHBondContact NZ-OE1 2.8Å; K533-E557 IonicContact NZ-OE2 3.92Å; K533-E557 PolarHBondContact NZ-OE2 2.78Å
558	M	86.6	Confident	88.4	Confident	81 Å²	81	61.8 Å²	61.8	40%	0.399	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-14.4	-178.6	-62.9	-62.3	-63.8	0	0	113.6	K533 T535 D556	K533-M558 HydrophobicContact CB-SD 3.66Å; T535-M558 HydrophobicContact CG2-CE 4.2Å; D556-M558 PolarHBondContact O-N 2.97Å; D556-M558 VanDerWaalsContact O-N 3.14Å; D556-M558 PolarHBondContact OD2-N 2.03Å
559	T	89.9	Confident	88.5	Confident	59 Å²	59	62.2 Å²	62.2	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.6	-168.5	67.6	0	0	0	0	115.2	F555 D556	F555-T559 PolarHBondContact N-O 3.01Å; D556-T559 PolarHBondContact N-O 2.91Å; D556-T559 PolarHBondContact O-N 2.92Å; D556-T559 VanDerWaalsContact O-O 3.14Å
560	C	92.4	Very high	88.6	Confident	20 Å²	20	59.3 Å²	59.3	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.6	167.1	-54.8	0	0	0	0	109	C548 Q552 Y553	C548-C560 WeakPolarHBondContact CA-SG 3.49Å; C548-C560 HydrophobicContact CB-CB 3.66Å; C548-C560 WeakPolarHBondContact CB-SG 3.42Å; C548-C560 WeakPolarHBondContact SG-CB 3.21Å; C548-C560 CovalentContact SG-SG 2.03Å; C548-C560 PolarHBondContact SG-SG 3.19Å; Q552-C560 HydrophobicContact CB-CB 4.2Å; Y553-C560 CarbonylContact O-C 3.57Å; Y553-C560 VanDerWaalsContact O-CA 3.23Å; Y553-C560 WeakPolarHBondContact O-CA 3.04Å
561	Q	91.6	Very high	88.6	Confident	78 Å²	78	67.4 Å²	67.4	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.1	173.5	-68	-173	14	0	0	110.6	Q552 Y553 F555	Q552-Q561 CarbonylContact C-O 3.57Å; Q552-Q561 WeakPolarHBondContact CA-O 3.45Å; Y553-Q561 WeakPolarHBondContact CD1-O 3.33Å; Y553-Q561 HydrophobicContact CE1-CB 3.86Å; Y553-Q561 PolarHBondContact N-O 2.81Å; Y553-Q561 PolarHBondContact O-N 3.24Å; F555-Q561 HydrophobicContact CB-CB 4.16Å; F555-Q561 HydrophobicContact CB-CG 3.73Å; F555-Q561 VanDerWaalsContact CG-CD 3.5Å; F555-Q561 HydrophobicContact CG-CG 4.07Å
562	H	90.7	Very high	88.5	Confident	124 Å²	124	71 Å²	71	57%	0.574	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	143	174.4	-75	-84.8	0	0	0	111.5	Y551 Q552	Y551-H562 WeakPolarHBondContact O-CA 3.29Å; Q552-H562 VanDerWaalsContact CG-CE1 3.46Å; Q552-H562 WeakPolarHBondContact CG-CE1 3.41Å; Q552-H562 PolarHBondContact NE2-CE1 2.76Å; Q552-H562 PolarHBondContact NE2-NE2 2.8Å
563	C	89.6	Confident	88.3	Confident	15 Å²	15	71.8 Å²	71.8	10%	0.101	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.7	157.2	168.9	-72.3	0	0	0	0	112.4	Y551 Q567 C576	Y551-C563 PolarHBondContact O-N 2.92Å; C563-Q567 HydrophobicContact CB-CB 4.31Å; C563-C576 WeakPolarHBondContact CA-SG 3.42Å; C563-C576 HydrophobicContact CB-CB 3.87Å; C563-C576 WeakPolarHBondContact CB-SG 3.23Å; C563-C576 WeakPolarHBondContact SG-CB 3.38Å; C563-C576 CovalentContact SG-SG 2.04Å; C563-C576 PolarHBondContact SG-SG 2.71Å
564	P	90.3	Very high	88.2	Confident	64 Å²	64	73 Å²	73	42%	0.416	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-50.2	156	166.3	-28.1	36.6	0	0	0	113.2	D566 Q567	P564-D566 VanDerWaalsContact C-N 3.31Å; P564-D566 VanDerWaalsContact CB-OD1 3.26Å; P564-D566 WeakPolarHBondContact CB-OD1 3.34Å; P564-D566 PolarHBondContact O-N 2.94Å; P564-Q567 HydrophobicContact CB-CB 4.18Å; P564-Q567 HydrophobicContact CB-CG 4.15Å; P564-Q567 HydrophobicContact CG-CB 4.49Å; P564-Q567 HydrophobicContact CG-CG 4.45Å; P564-Q567 CarbonylContact O-C 3.29Å; P564-Q567 PolarHBondContact O-N 2.61Å; P564-Q567 VanDerWaalsContact O-O 3.1Å
565	Y	84.5	Confident	88.1	Confident	110 Å²	110	71.9 Å²	71.9	43%	0.431	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.8	-171.4	173.7	-87.8	0	0	0	113.4	Q567 Y732 D733 K736	Y565-Q567 VanDerWaalsContact C-N 3.28Å; Y565-Y732 HydrophobicContact CD1-CD2 4.47Å; Y565-Y732 AromaticContact CE1-CD2 3.93Å; Y565-Y732 HydrophobicContact CE1-CD2 3.93Å; Y565-Y732 HydrophobicContact CE1-CG 4.26Å; Y565-D733 PolarHBondContact OH-OD1 3.1Å; Y565-D733 PolarHBondContact OH-OD2 2.99Å; Y565-K736 VanDerWaalsContact CD2-NZ 3.33Å; Y565-K736 HydrophobicContact CE2-CD 4.19Å; Y565-K736 PolarHBondContact O-NZ 2.92Å
566	D	84.1	Confident	88.4	Confident	74 Å²	74	68 Å²	68	40%	0.396	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.3	174.2	54.1	-27.1	0	0	0	113.9	P564 I579 Y732	P564-D566 VanDerWaalsContact C-N 3.31Å; P564-D566 VanDerWaalsContact CB-OD1 3.26Å; P564-D566 WeakPolarHBondContact CB-OD1 3.34Å; P564-D566 PolarHBondContact O-N 2.94Å; D566-I579 WeakPolarHBondContact O-CB 3.48Å; D566-I579 WeakPolarHBondContact O-CG1 3.37Å; D566-I579 PolarHBondContact O-N 3.02Å; D566-Y732 HydrophobicContact CB-CE2 4.1Å
567	Q	88.7	Confident	88.6	Confident	44 Å²	44	67.9 Å²	67.9	21%	0.206	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	165.3	-175.2	-61.9	-164.8	-28.7	0	0	113.4	C563 P564 Y565 C576 Q577 D578	C563-Q567 HydrophobicContact CB-CB 4.31Å; P564-Q567 HydrophobicContact CB-CB 4.18Å; P564-Q567 HydrophobicContact CB-CG 4.15Å; P564-Q567 HydrophobicContact CG-CB 4.49Å; P564-Q567 HydrophobicContact CG-CG 4.45Å; P564-Q567 CarbonylContact O-C 3.29Å; P564-Q567 PolarHBondContact O-N 2.61Å; P564-Q567 VanDerWaalsContact O-O 3.1Å; Y565-Q567 VanDerWaalsContact C-N 3.28Å; Q567-C576 HydrophobicContact CB-CB 4.12Å; Q567-C576 VanDerWaalsContact OE1-CB 3.24Å; Q567-Q577 CarbonylContact C-O 3.55Å; Q567-Q577 WeakPolarHBondContact CA-O 3.29Å; Q567-Q577 WeakPolarHBondContact CB-O 3.33Å; Q567-D578 PolarHBondContact NE2-OD1 2.84Å
568	R	88.3	Confident	88.8	Confident	38 Å²	38	68.3 Å²	68.3	14%	0.143	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.1	177.9	59.5	178.1	-169.6	150.9	11.8	109.6	Y551 C576 Q577 I579 P740 E741	Y551-R568 HydrophobicContact CD1-CB 4.32Å; Y551-R568 HydrophobicContact CE1-CB 4.21Å; R568-C576 CarbonylContact O-C 3.52Å; R568-C576 WeakPolarHBondContact O-CA 3.27Å; R568-Q577 HydrophobicContact CG-CG 3.98Å; R568-Q577 WeakPolarHBondContact CG-O 3.36Å; R568-Q577 PolarHBondContact N-O 2.87Å; R568-Q577 VanDerWaalsContact O-CG 3.29Å; R568-Q577 WeakPolarHBondContact O-CG 3.45Å; R568-Q577 PolarHBondContact O-N 3.15Å; R568-Q577 VanDerWaalsContact O-O 3.06Å; R568-I579 HydrophobicContact CB-CG1 4.08Å; R568-I579 HydrophobicContact CG-CG1 4.09Å; R568-P740 HydrophobicContact CB-CB 4.09Å; R568-P740 VanDerWaalsContact CD-O 3.22Å; R568-P740 WeakPolarHBondContact CD-O 3Å; R568-P740 PolarHBondContact NH1-O 2.81Å; R568-P740 VanDerWaalsContact NH1-O 3.14Å; R568-E741 PolarHBondContact NH1-O 3.12Å; R568-E741 VanDerWaalsContact NH1-O 3.08Å
569	P	91.3	Very high	88.9	Confident	10 Å²	10	64.6 Å²	64.6	7%	0.065	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	154.5	176.4	22.9	-33.1	0	0	0	112.8	R573 G575 Q577 P740	P569-R573 HydrophobicContact CB-CB 4.47Å; P569-R573 HydrophobicContact CB-CG 4.21Å; P569-G575 CarbonylContact C-O 3.45Å; P569-G575 WeakPolarHBondContact CA-O 3.23Å; P569-Q577 PolarHBondContact O-NE2 2.79Å; P569-P740 HydrophobicContact CG-CB 4.17Å; P569-P740 HydrophobicContact CG-CG 4.21Å
570	N	88.4	Confident	88.7	Confident	46 Å²	46	64.2 Å²	64.2	25%	0.246	33%	0.331	C	S	.	.			trans	-73.6	169	165.7	68.1	-4.9	0	0	0	111.3	N572 R573 T574 G575	N570-N572 VanDerWaalsContact C-N 3.29Å; N570-N572 PolarHBondContact O-N 2.86Å; N570-R573 WeakPolarHBondContact O-CA 3.08Å; N570-R573 PolarHBondContact O-N 3.18Å; N570-R573 WeakPolarHBondContact OD1-CA 3.39Å; N570-R573 PolarHBondContact OD1-N 3.38Å; N570-T574 PolarHBondContact ND2-OG1 3.14Å; N570-T574 PolarHBondContact OD1-N 2.04Å; N570-G575 PolarHBondContact N-O 3.31Å; N570-G575 PolarHBondContact OD1-N 3.36Å; N570-G575 VanDerWaalsContact OD1-N 3.17Å; N570-G575 PolarHBondContact OD1-O 3.41Å
571	E	84.4	Confident	88.3	Confident	190 Å²	190	67.3 Å²	67.3	89%	0.888	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-40	-175.6	-62.9	179.9	164.6	0	0	112.7	R573	E571-R573 PolarHBondContact O-N 2.77Å
572	N	86.8	Confident	87.9	Confident	108 Å²	108	65.8 Å²	65.8	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	0	176.6	-67.5	-30.9	0	0	0	114	P529 G530 N570 T574	P529-N572 CarbonylContact C-O 3.4Å; G530-N572 VanDerWaalsContact CA-O 3.23Å; G530-N572 WeakPolarHBondContact CA-O 3.42Å; G530-N572 PolarHBondContact N-O 2.89Å; N570-N572 VanDerWaalsContact C-N 3.29Å; N570-N572 PolarHBondContact O-N 2.86Å; N572-T574 HydrophobicContact CB-CG2 4.2Å; N572-T574 PolarHBondContact O-N 3.2Å; N572-T574 VanDerWaalsContact O-N 3.1Å
573	R	86.4	Confident	87.6	Confident	63 Å²	63	64.1 Å²	64.1	24%	0.238	33%	0.33	C	S	.	.	S	Bend	trans	45.2	35.8	-172.9	-53.1	-170.2	-177.8	-174.6	-2.6	114.4	C548 D549 Y553 Q554 P569 N570 E571	C548-R573 VanDerWaalsContact O-CD 3.22Å; C548-R573 WeakPolarHBondContact O-CD 3.16Å; C548-R573 PolarHBondContact O-NH1 3.35Å; D549-R573 IonicContact OD1-CZ 3.46Å; D549-R573 IonicContact OD1-NH1 2.7Å; D549-R573 PolarHBondContact OD1-NH1 3.08Å; Y553-R573 CarbonylContact C-O 3.59Å; Y553-R573 WeakPolarHBondContact CA-O 3.21Å; Y553-R573 WeakPolarHBondContact CB-O 3.22Å; Q554-R573 PolarHBondContact N-O 3.29Å; P569-R573 HydrophobicContact CB-CB 4.47Å; P569-R573 HydrophobicContact CB-CG 4.21Å; N570-R573 WeakPolarHBondContact O-CA 3.08Å; N570-R573 PolarHBondContact O-N 3.18Å; N570-R573 WeakPolarHBondContact OD1-CA 3.39Å; N570-R573 PolarHBondContact OD1-N 3.38Å; E571-R573 PolarHBondContact O-N 2.77Å
574	T	89.1	Confident	87.2	Confident	67 Å²	67	64.2 Å²	64.2	41%	0.411	33%	0.329	S	S	.	.	S	Bend	trans	-97.1	-6.2	174.9	55.1	0	0	0	0	113.9	P529 N570 N572	P529-T574 HydrophobicContact CB-CG2 3.8Å; N570-T574 PolarHBondContact ND2-OG1 3.14Å; N570-T574 PolarHBondContact OD1-N 2.04Å; N572-T574 HydrophobicContact CB-CG2 4.2Å; N572-T574 PolarHBondContact O-N 3.2Å; N572-T574 VanDerWaalsContact O-N 3.1Å
575	G	89.4	Confident	86.9	Confident	19 Å²	19	65.7 Å²	65.7	20%	0.196	33%	0.331	C	S	.	.	S	Bend	trans	-173	-179.6	-179.9	0	0	0	0	0	111.9	P569 N570	P569-G575 CarbonylContact C-O 3.45Å; P569-G575 WeakPolarHBondContact CA-O 3.23Å; N570-G575 PolarHBondContact N-O 3.31Å; N570-G575 PolarHBondContact OD1-N 3.36Å; N570-G575 VanDerWaalsContact OD1-N 3.17Å; N570-G575 PolarHBondContact OD1-O 3.41Å
576	C	91.9	Very high	86.9	Confident	41 Å²	41	66.2 Å²	66.2	28%	0.277	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.6	-176.8	-54.8	0	0	0	0	112	Y553 C563 Q567 R568	Y553-C576 WeakPolarHBondContact CD1-SG 3.34Å; C563-C576 WeakPolarHBondContact CA-SG 3.42Å; C563-C576 HydrophobicContact CB-CB 3.87Å; C563-C576 WeakPolarHBondContact CB-SG 3.23Å; C563-C576 WeakPolarHBondContact SG-CB 3.38Å; C563-C576 CovalentContact SG-SG 2.04Å; C563-C576 PolarHBondContact SG-SG 2.71Å; Q567-C576 HydrophobicContact CB-CB 4.12Å; Q567-C576 VanDerWaalsContact OE1-CB 3.24Å; R568-C576 CarbonylContact O-C 3.52Å; R568-C576 WeakPolarHBondContact O-CA 3.27Å
577	Q	91.5	Very high	87	Confident	75 Å²	75	70.8 Å²	70.8	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.6	177.7	54.5	170.3	-12.9	0	0	108.9	Q567 R568 P569	Q567-Q577 CarbonylContact C-O 3.55Å; Q567-Q577 WeakPolarHBondContact CA-O 3.29Å; Q567-Q577 WeakPolarHBondContact CB-O 3.33Å; R568-Q577 HydrophobicContact CG-CG 3.98Å; R568-Q577 WeakPolarHBondContact CG-O 3.36Å; R568-Q577 PolarHBondContact N-O 2.87Å; R568-Q577 VanDerWaalsContact O-CG 3.29Å; R568-Q577 WeakPolarHBondContact O-CG 3.45Å; R568-Q577 PolarHBondContact O-N 3.15Å; R568-Q577 VanDerWaalsContact O-O 3.06Å; P569-Q577 PolarHBondContact O-NE2 2.79Å
578	D	89	Confident	86.8	Confident	109 Å²	109	69.8 Å²	69.8	58%	0.583	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	147.6	-175.4	-52.8	-36.9	0	0	0	112.6	Q567 P580	Q567-D578 PolarHBondContact NE2-OD1 2.84Å; D578-P580 WeakPolarHBondContact O-CD 3.26Å
579	I	87.9	Confident	86.7	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.015	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-72.8	122	174.7	-68.3	170.5	0	0	0	108.9	D566 R568 I581 Y732 A743 R744	D566-I579 WeakPolarHBondContact O-CB 3.48Å; D566-I579 WeakPolarHBondContact O-CG1 3.37Å; D566-I579 PolarHBondContact O-N 3.02Å; R568-I579 HydrophobicContact CB-CG1 4.08Å; R568-I579 HydrophobicContact CG-CG1 4.09Å; I579-I581 PolarHBondContact O-N 3.32Å; I579-Y732 HydrophobicContact CB-CD1 4.17Å; I579-Y732 HydrophobicContact CB-CE1 3.87Å; I579-Y732 HydrophobicContact CD1-CD1 4.25Å; I579-Y732 HydrophobicContact CG2-CD1 3.94Å; I579-Y732 HydrophobicContact CG2-CE1 3.97Å; I579-A743 HydrophobicContact CG2-CB 4.26Å; I579-R744 VanDerWaalsContact CG2-C 3.5Å
580	P	85.9	Confident	86.5	Confident	51 Å²	51	76.5 Å²	76.5	33%	0.331	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-67.4	130.5	-174.5	22.2	-29.5	0	0	0	112.2	D578 R744 G745	D578-P580 WeakPolarHBondContact O-CD 3.26Å; P580-R744 WeakPolarHBondContact O-CA 2.82Å; P580-R744 WeakPolarHBondContact O-CD 3.27Å; P580-G745 PolarHBondContact O-N 2.99Å
581	I	85.2	Confident	86.6	Confident	85 Å²	85	74.3 Å²	74.3	44%	0.436	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.8	-171.8	-57.9	167.3	0	0	0	110.8	I579 I730 G745 L747	I579-I581 PolarHBondContact O-N 3.32Å; I581-I730 HydrophobicContact CD1-CD1 3.65Å; I581-I730 HydrophobicContact CD1-CG1 4.3Å; I581-I730 HydrophobicContact CD1-CG2 4.43Å; I581-I730 HydrophobicContact CG1-CG2 4.24Å; I581-I730 HydrophobicContact CG2-CG2 4.49Å; I581-G745 CarbonylContact C-O 3.57Å; I581-G745 VanDerWaalsContact CA-O 3.27Å; I581-G745 WeakPolarHBondContact CA-O 3.36Å; I581-L747 HydrophobicContact CG2-CB 3.74Å
582	I	83.1	Confident	86.8	Confident	45 Å²	45	68.8 Å²	68.8	23%	0.231	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	153	172.6	63.3	172.6	0	0	0	111.7	R744 G745 V746 L747	I582-R744 HydrophobicContact CD1-CB 4.22Å; I582-R744 HydrophobicContact CG1-CB 4.24Å; I582-R744 HydrophobicContact CG2-CB 4.09Å; I582-R744 HydrophobicContact CG2-CG 3.97Å; I582-G745 WeakPolarHBondContact CG1-O 3.37Å; I582-G745 PolarHBondContact N-O 2.79Å; I582-V746 HydrophobicContact CD1-CG2 4.2Å; I582-V746 HydrophobicContact CG1-CG2 4.14Å; I582-L747 PolarHBondContact O-N 3.44Å; I582-L747 VanDerWaalsContact O-N 3.09Å
583	K	83.3	Confident	86.9	Confident	89 Å²	89	68.4 Å²	68.4	39%	0.387	35%	0.349	S	S	.	.			trans	-150	159.8	-175.6	71.8	-158.2	-176.5	-146.2	0	108.5	E585	K583-E585 WeakPolarHBondContact CE-OE1 3.43Å; K583-E585 HydrophobicContact CG-CG 4.1Å; K583-E585 IonicContact NZ-OE1 3.28Å; K583-E585 PolarHBondContact NZ-OE1 3.37Å; K583-E585 PolarHBondContact O-N 2.77Å
584	L	81.1	Confident	87.2	Confident	18 Å²	18	65.4 Å²	65.4	9%	0.094	34%	0.338	C	S	.	.			trans	-69.9	127.8	169.1	-172.6	60.8	0	0	0	109.5	A591 I647 Y819 T822	L584-A591 HydrophobicContact CD1-CB 4.43Å; L584-A591 HydrophobicContact CG-CB 4.47Å; L584-I647 HydrophobicContact CD2-CB 4.4Å; L584-I647 HydrophobicContact CD2-CG1 4.11Å; L584-I647 HydrophobicContact CD2-CG2 4.29Å; L584-Y819 HydrophobicContact CD1-CD1 3.45Å; L584-Y819 VanDerWaalsContact CD1-CD1 3.45Å; L584-Y819 HydrophobicContact CD1-CE1 3.71Å; L584-T822 HydrophobicContact CD2-CG2 4.13Å
585	E	83.9	Confident	87.4	Confident	94 Å²	94	63.7 Å²	63.7	44%	0.439	33%	0.327	S	S	.	.			trans	-110.3	143	177.9	-61.2	-152.6	143.5	0	0	111.5	K583 H587 S588	K583-E585 WeakPolarHBondContact CE-OE1 3.43Å; K583-E585 HydrophobicContact CG-CG 4.1Å; K583-E585 IonicContact NZ-OE1 3.28Å; K583-E585 PolarHBondContact NZ-OE1 3.37Å; K583-E585 PolarHBondContact O-N 2.77Å; E585-H587 PolarHBondContact O-N 3.28Å; E585-H587 VanDerWaalsContact O-N 3.12Å; E585-S588 WeakPolarHBondContact O-CB 3.46Å; E585-S588 PolarHBondContact O-N 2.9Å
586	W	85.9	Confident	87.6	Confident	122 Å²	122	69 Å²	69	46%	0.462	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.7	-177.5	-63.1	98.7	0	0	0	114.4	S588 V592 V595 F644 I647 A648	W586-S588 VanDerWaalsContact C-N 3.33Å; W586-V592 WeakPolarHBondContact O-CG2 3.46Å; W586-V595 HydrophobicContact CE3-CG2 4.3Å; W586-V595 HydrophobicContact CZ3-CG2 4.04Å; W586-F644 HydrophobicContact CH2-CB 4.4Å; W586-F644 HydrophobicContact CH2-CD1 4.37Å; W586-F644 HydrophobicContact CZ3-CD1 4.18Å; W586-I647 HydrophobicContact CD2-CG2 3.93Å; W586-I647 HydrophobicContact CE3-CB 4.43Å; W586-I647 HydrophobicContact CE3-CG2 3.49Å; W586-I647 VanDerWaalsContact CE3-CG2 3.49Å; W586-I647 HydrophobicContact CH2-CB 4.24Å; W586-I647 HydrophobicContact CH2-CG2 4.04Å; W586-I647 HydrophobicContact CZ2-CG2 4.44Å; W586-I647 HydrophobicContact CZ3-CB 4Å; W586-I647 HydrophobicContact CZ3-CG2 3.55Å; W586-A648 HydrophobicContact CZ2-CB 4.08Å
587	H	84.5	Confident	87.6	Confident	169 Å²	169	70 Å²	70	78%	0.782	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-8	176.9	-54	116.3	0	0	0	113.7	E585	E585-H587 PolarHBondContact O-N 3.28Å; E585-H587 VanDerWaalsContact O-N 3.12Å
588	S	86.5	Confident	87.7	Confident	23 Å²	23	66.5 Å²	66.5	16%	0.161	33%	0.331	C	S	.	.	S	Bend	trans	-66.1	135	177.9	-173.4	0	0	0	0	110.5	E585 W586 W590 A591 V592	E585-S588 WeakPolarHBondContact O-CB 3.46Å; E585-S588 PolarHBondContact O-N 2.9Å; W586-S588 VanDerWaalsContact C-N 3.33Å; S588-W590 PolarHBondContact O-N 2.99Å; S588-W590 VanDerWaalsContact O-N 3.1Å; S588-A591 WeakPolarHBondContact O-CA 3.24Å; S588-A591 WeakPolarHBondContact O-CB 3.32Å; S588-A591 PolarHBondContact O-N 2.93Å; S588-V592 WeakPolarHBondContact O-CG2 3.42Å; S588-V592 PolarHBondContact O-N 3.2Å
589	P	86	Confident	88	Confident	95 Å²	95	65.6 Å²	65.6	62%	0.617	32%	0.324	S	S	*	.	H	α-helix	trans	-52.9	-34.9	176.9	-28.1	35.7	0	0	0	113.4	A591 V592	P589-A591 VanDerWaalsContact C-N 3.31Å; P589-A591 PolarHBondContact O-N 3.44Å; P589-V592 PolarHBondContact O-N 3.25Å
590	W	87.1	Confident	88.4	Confident	95 Å²	95	69.8 Å²	69.8	36%	0.36	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-36.6	173.4	-62	121.6	0	0	0	113.3	S588 P594 E816 Y819 I820 T823	S588-W590 PolarHBondContact O-N 2.99Å; S588-W590 VanDerWaalsContact O-N 3.1Å; W590-P594 WeakPolarHBondContact O-CD 3.45Å; W590-P594 WeakPolarHBondContact O-CG 3.48Å; W590-E816 WeakPolarHBondContact CZ2-OE2 3.17Å; W590-Y819 AromaticContact CD1-CD1 3.81Å; W590-Y819 HydrophobicContact CG-CD1 4.41Å; W590-I820 HydrophobicContact CH2-CG1 4.18Å; W590-I820 HydrophobicContact CZ2-CG1 4.34Å; W590-T823 HydrophobicContact CE3-CG2 4.2Å; W590-T823 WeakPolarHBondContact O-CG2 3.45Å; W590-T823 PolarHBondContact O-OG1 3.12Å
591	A	88.8	Confident	88.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-86.2	-34.7	179.3	0	0	0	0	0	113.5	L584 S588 P589 P594 V595 I647	L584-A591 HydrophobicContact CD1-CB 4.43Å; L584-A591 HydrophobicContact CG-CB 4.47Å; S588-A591 WeakPolarHBondContact O-CA 3.24Å; S588-A591 WeakPolarHBondContact O-CB 3.32Å; S588-A591 PolarHBondContact O-N 2.93Å; P589-A591 VanDerWaalsContact C-N 3.31Å; P589-A591 PolarHBondContact O-N 3.44Å; A591-P594 WeakPolarHBondContact O-CD 3.4Å; A591-V595 VanDerWaalsContact O-CG2 3.3Å; A591-V595 WeakPolarHBondContact O-CG2 3.43Å; A591-V595 PolarHBondContact O-N 2.79Å; A591-I647 HydrophobicContact CB-CD1 4.29Å; A591-I647 HydrophobicContact CB-CG2 3.81Å
592	V	89.8	Confident	89.3	Confident	74 Å²	74	64.6 Å²	64.6	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-43.7	-175.3	172.5	0	0	0	0	112.2	W586 S588 P589 V595 F596	W586-V592 WeakPolarHBondContact O-CG2 3.46Å; S588-V592 WeakPolarHBondContact O-CG2 3.42Å; S588-V592 PolarHBondContact O-N 3.2Å; P589-V592 PolarHBondContact O-N 3.25Å; V592-V595 PolarHBondContact O-N 2.64Å; V592-F596 PolarHBondContact O-N 3.22Å
593	I	89.8	Confident	89.8	Confident	100 Å²	100	67.6 Å²	67.6	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-49.7	-175	-64.1	169.5	0	0	0	112.3	V595 F596 L597 I827	I593-V595 PolarHBondContact O-N 3.44Å; I593-F596 PolarHBondContact O-N 3.38Å; I593-L597 HydrophobicContact CG2-CD1 4.45Å; I593-L597 WeakPolarHBondContact O-CG 3.31Å; I593-L597 PolarHBondContact O-N 2.68Å; I593-I827 HydrophobicContact CG2-CD1 4.37Å
594	P	91.5	Very high	90.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-42.9	173.4	-22.6	30.2	0	0	0	113.5	W590 A591 F596 L597 A598 T643 I647 T823 I827	W590-P594 WeakPolarHBondContact O-CD 3.45Å; W590-P594 WeakPolarHBondContact O-CG 3.48Å; A591-P594 WeakPolarHBondContact O-CD 3.4Å; P594-F596 PolarHBondContact O-N 2.95Å; P594-L597 PolarHBondContact O-N 3.42Å; P594-A598 WeakPolarHBondContact O-CB 3.5Å; P594-A598 PolarHBondContact O-N 3.4Å; P594-T643 HydrophobicContact CB-CG2 3.66Å; P594-I647 HydrophobicContact CB-CD1 4.17Å; P594-T823 HydrophobicContact CG-CG2 3.95Å; P594-I827 HydrophobicContact CB-CG1 4.48Å; P594-I827 HydrophobicContact CG-CD1 4.4Å; P594-I827 HydrophobicContact CG-CG1 4.03Å
595	V	93	Very high	90.9	Very high	31 Å²	31	63.8 Å²	63.8	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-42.2	-178.4	168.6	0	0	0	0	111.5	W586 A591 V592 I593 A598 M599 F644 I647	W586-V595 HydrophobicContact CE3-CG2 4.3Å; W586-V595 HydrophobicContact CZ3-CG2 4.04Å; A591-V595 VanDerWaalsContact O-CG2 3.3Å; A591-V595 WeakPolarHBondContact O-CG2 3.43Å; A591-V595 PolarHBondContact O-N 2.79Å; V592-V595 PolarHBondContact O-N 2.64Å; I593-V595 PolarHBondContact O-N 3.44Å; V595-A598 PolarHBondContact O-N 2.84Å; V595-M599 HydrophobicContact CG1-CG 4.44Å; V595-M599 WeakPolarHBondContact O-CG 3.38Å; V595-M599 PolarHBondContact O-N 3.1Å; V595-F644 HydrophobicContact CG1-CE1 3.84Å; V595-F644 HydrophobicContact CG1-CZ 4.3Å; V595-F644 HydrophobicContact CG2-CE1 4.49Å; V595-I647 HydrophobicContact CG2-CD1 3.67Å
596	F	93.3	Very high	91.4	Very high	131 Å²	131	63.8 Å²	63.8	58%	0.575	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-45.6	177	-179.2	-105.8	0	0	0	112.1	V592 I593 P594 A598 M599 L600	V592-F596 PolarHBondContact O-N 3.22Å; I593-F596 PolarHBondContact O-N 3.38Å; P594-F596 PolarHBondContact O-N 2.95Å; F596-A598 VanDerWaalsContact C-N 3.35Å; F596-A598 PolarHBondContact O-N 2.72Å; F596-M599 PolarHBondContact O-N 3.09Å; F596-L600 HydrophobicContact CD1-CD1 4.13Å; F596-L600 HydrophobicContact CE1-CD1 3.57Å; F596-L600 HydrophobicContact CE1-CG 4.49Å; F596-L600 HydrophobicContact CE2-CD1 4.42Å; F596-L600 HydrophobicContact CZ-CD1 3.74Å; F596-L600 HydrophobicContact CZ-CG 4.39Å; F596-L600 PolarHBondContact O-N 2.76Å; F596-L600 VanDerWaalsContact O-N 3.16Å
597	L	92.4	Very high	91.8	Very high	62 Å²	62	63.1 Å²	63.1	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-40.6	175.7	-66.3	174	0	0	0	112	I593 P594 L600 G601 N830	I593-L597 HydrophobicContact CG2-CD1 4.45Å; I593-L597 WeakPolarHBondContact O-CG 3.31Å; I593-L597 PolarHBondContact O-N 2.68Å; P594-L597 PolarHBondContact O-N 3.42Å; L597-L600 PolarHBondContact O-N 3.48Å; L597-G601 PolarHBondContact O-N 3.16Å; L597-N830 HydrophobicContact CB-CB 4.4Å
598	A	94.9	Very high	92.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-40.7	178.2	0	0	0	0	0	112.6	P594 V595 F596 G601 I602 T643 F644 N830	P594-A598 WeakPolarHBondContact O-CB 3.5Å; P594-A598 PolarHBondContact O-N 3.4Å; V595-A598 PolarHBondContact O-N 2.84Å; F596-A598 VanDerWaalsContact C-N 3.35Å; F596-A598 PolarHBondContact O-N 2.72Å; A598-G601 PolarHBondContact O-N 3.47Å; A598-I602 WeakPolarHBondContact O-CB 3.3Å; A598-I602 VanDerWaalsContact O-CG1 3.28Å; A598-I602 WeakPolarHBondContact O-CG1 3.44Å; A598-I602 PolarHBondContact O-N 3.03Å; A598-T643 HydrophobicContact CB-CG2 3.98Å; A598-F644 HydrophobicContact CB-CE2 3.79Å; A598-F644 HydrophobicContact CB-CZ 4.18Å; A598-N830 WeakPolarHBondContact CA-OD1 3.41Å; A598-N830 WeakPolarHBondContact CB-OD1 3.22Å; A598-N830 PolarHBondContact N-OD1 2.99Å
599	M	95	Very high	92.3	Very high	91 Å²	91	55.9 Å²	55.9	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.9	-74.6	-61.5	-69.2	0	0	111.9	V595 F596 G601 I602 I603 F644	V595-M599 HydrophobicContact CG1-CG 4.44Å; V595-M599 WeakPolarHBondContact O-CG 3.38Å; V595-M599 PolarHBondContact O-N 3.1Å; F596-M599 PolarHBondContact O-N 3.09Å; M599-G601 VanDerWaalsContact C-N 3.33Å; M599-G601 PolarHBondContact O-N 3.45Å; M599-I602 PolarHBondContact O-N 2.92Å; M599-I603 WeakPolarHBondContact O-CD1 3.09Å; M599-I603 VanDerWaalsContact O-CG1 3.31Å; M599-I603 WeakPolarHBondContact O-CG1 3.49Å; M599-I603 PolarHBondContact O-N 3.38Å; M599-F644 HydrophobicContact CG-CZ 3.97Å; M599-F644 HydrophobicContact SD-CE1 4.2Å; M599-F644 HydrophobicContact SD-CZ 3.66Å
600	L	94.9	Very high	92.5	Very high	91 Å²	91	53.9 Å²	53.9	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.2	-68.3	178	0	0	0	111.6	F596 L597 I603 A604	F596-L600 HydrophobicContact CD1-CD1 4.13Å; F596-L600 HydrophobicContact CE1-CD1 3.57Å; F596-L600 HydrophobicContact CE1-CG 4.49Å; F596-L600 HydrophobicContact CE2-CD1 4.42Å; F596-L600 HydrophobicContact CZ-CD1 3.74Å; F596-L600 HydrophobicContact CZ-CG 4.39Å; F596-L600 PolarHBondContact O-N 2.76Å; F596-L600 VanDerWaalsContact O-N 3.16Å; L597-L600 PolarHBondContact O-N 3.48Å; L600-I603 PolarHBondContact O-N 3.46Å; L600-A604 WeakPolarHBondContact O-CB 3.4Å; L600-A604 PolarHBondContact O-N 3.08Å
601	G	94.1	Very high	92.6	Very high	5 Å²	5	49.9 Å²	49.9	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-42.7	176.2	0	0	0	0	0	113.8	L597 A598 M599 T605 Y640	L597-G601 PolarHBondContact O-N 3.16Å; A598-G601 PolarHBondContact O-N 3.47Å; M599-G601 VanDerWaalsContact C-N 3.33Å; M599-G601 PolarHBondContact O-N 3.45Å; G601-T605 VanDerWaalsContact O-CB 3.3Å; G601-T605 WeakPolarHBondContact O-CB 3.1Å; G601-T605 PolarHBondContact O-N 3.29Å; G601-T605 PolarHBondContact O-OG1 3.44Å; G601-Y640 WeakPolarHBondContact O-CE2 3.28Å
602	I	95.8	Very high	92.6	Very high	22 Å²	22	49.9 Å²	49.9	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-50.1	175.5	-75.1	163.7	0	0	0	110.7	A598 M599 A604 T605 I606 F637 Y640 I641 F644	A598-I602 WeakPolarHBondContact O-CB 3.3Å; A598-I602 VanDerWaalsContact O-CG1 3.28Å; A598-I602 WeakPolarHBondContact O-CG1 3.44Å; A598-I602 PolarHBondContact O-N 3.03Å; M599-I602 PolarHBondContact O-N 2.92Å; I602-A604 VanDerWaalsContact C-N 3.35Å; I602-A604 PolarHBondContact O-N 3.28Å; I602-T605 PolarHBondContact O-N 3.36Å; I602-I606 HydrophobicContact CG2-CD1 3.68Å; I602-I606 HydrophobicContact CG2-CG1 4.46Å; I602-I606 WeakPolarHBondContact O-CG1 3.1Å; I602-I606 PolarHBondContact O-N 3.45Å; I602-F637 HydrophobicContact CG2-CE2 4.11Å; I602-Y640 HydrophobicContact CG1-CG 4.38Å; I602-I641 HydrophobicContact CD1-CD1 3.74Å; I602-I641 HydrophobicContact CD1-CG1 4.4Å; I602-I641 HydrophobicContact CG1-CD1 4.48Å; I602-F644 HydrophobicContact CD1-CE2 3.74Å; I602-F644 HydrophobicContact CD1-CZ 4.41Å
603	I	95.1	Very high	92.5	Very high	107 Å²	107	51.3 Å²	51.3	55%	0.549	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-47.1	179.8	-67.2	164.1	0	0	0	110.4	M599 L600 T605 I606 F607	M599-I603 WeakPolarHBondContact O-CD1 3.09Å; M599-I603 VanDerWaalsContact O-CG1 3.31Å; M599-I603 WeakPolarHBondContact O-CG1 3.49Å; M599-I603 PolarHBondContact O-N 3.38Å; L600-I603 PolarHBondContact O-N 3.46Å; I603-T605 PolarHBondContact O-N 3.06Å; I603-I606 PolarHBondContact O-N 3.48Å; I603-F607 WeakPolarHBondContact O-CB 3.5Å; I603-F607 PolarHBondContact O-N 2.92Å
604	A	93.5	Very high	92.5	Very high	25 Å²	25	55 Å²	55	21%	0.207	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-39.2	177.1	0	0	0	0	0	112.5	L600 I602 F607 V608 L837	L600-A604 WeakPolarHBondContact O-CB 3.4Å; L600-A604 PolarHBondContact O-N 3.08Å; I602-A604 VanDerWaalsContact C-N 3.35Å; I602-A604 PolarHBondContact O-N 3.28Å; A604-F607 PolarHBondContact O-N 3.28Å; A604-V608 VanDerWaalsContact O-CG2 3.3Å; A604-V608 WeakPolarHBondContact O-CG2 3.39Å; A604-V608 PolarHBondContact O-N 3.41Å; A604-L837 HydrophobicContact CB-CD2 3.65Å
605	T	94	Very high	92.3	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-41.7	178.4	-56.7	0	0	0	0	111.6	G601 I602 I603 V608 M609 L633 I636 F637 Y640	G601-T605 VanDerWaalsContact O-CB 3.3Å; G601-T605 WeakPolarHBondContact O-CB 3.1Å; G601-T605 PolarHBondContact O-N 3.29Å; G601-T605 PolarHBondContact O-OG1 3.44Å; I602-T605 PolarHBondContact O-N 3.36Å; I603-T605 PolarHBondContact O-N 3.06Å; T605-V608 PolarHBondContact O-N 3.36Å; T605-M609 VanDerWaalsContact O-CB 3.24Å; T605-M609 WeakPolarHBondContact O-CB 3.38Å; T605-M609 PolarHBondContact O-N 3.18Å; T605-L633 HydrophobicContact CG2-CD2 4.44Å; T605-I636 HydrophobicContact CG2-CG2 4.09Å; T605-F637 HydrophobicContact CG2-CB 4.08Å; T605-Y640 WeakPolarHBondContact OG1-CE2 3.24Å
606	I	93.6	Very high	91.8	Very high	94 Å²	94	60.2 Å²	60.2	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-43.6	174.9	-68.6	168.3	0	0	0	110.4	I602 I603 M609 A610 F637	I602-I606 HydrophobicContact CG2-CD1 3.68Å; I602-I606 HydrophobicContact CG2-CG1 4.46Å; I602-I606 WeakPolarHBondContact O-CG1 3.1Å; I602-I606 PolarHBondContact O-N 3.45Å; I603-I606 PolarHBondContact O-N 3.48Å; I606-M609 PolarHBondContact O-N 3.07Å; I606-A610 VanDerWaalsContact O-CB 3.28Å; I606-A610 WeakPolarHBondContact O-CB 3.45Å; I606-A610 PolarHBondContact O-N 2.84Å; I606-F637 HydrophobicContact CD1-CE2 4.4Å; I606-F637 HydrophobicContact CG1-CE2 4.42Å
607	F	93.5	Very high	91.2	Very high	109 Å²	109	58.5 Å²	58.5	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-46	176.5	175	-104	0	0	0	112.9	I603 A604 T611 V845 I849	I603-F607 WeakPolarHBondContact O-CB 3.5Å; I603-F607 PolarHBondContact O-N 2.92Å; A604-F607 PolarHBondContact O-N 3.28Å; F607-T611 WeakPolarHBondContact O-CB 3.47Å; F607-T611 PolarHBondContact O-N 3.11Å; F607-T611 PolarHBondContact O-OG1 2.95Å; F607-V845 HydrophobicContact CE1-CG1 3.86Å; F607-V845 HydrophobicContact CZ-CG1 4.49Å; F607-I849 HydrophobicContact CE1-CD1 4.34Å; F607-I849 HydrophobicContact CZ-CD1 3.74Å
608	V	92	Very high	90.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-45.1	175.7	170.9	0	0	0	0	111	A604 T605 T611 F612 L633 L837 Y841 V845	A604-V608 VanDerWaalsContact O-CG2 3.3Å; A604-V608 WeakPolarHBondContact O-CG2 3.39Å; A604-V608 PolarHBondContact O-N 3.41Å; T605-V608 PolarHBondContact O-N 3.36Å; V608-T611 PolarHBondContact O-N 3.23Å; V608-F612 HydrophobicContact CG1-CD2 4.24Å; V608-F612 HydrophobicContact CG1-CE2 4.4Å; V608-F612 WeakPolarHBondContact O-CD2 3.49Å; V608-F612 PolarHBondContact O-N 2.98Å; V608-L633 HydrophobicContact CB-CD2 4.48Å; V608-L633 HydrophobicContact CG1-CD1 4.12Å; V608-L633 HydrophobicContact CG1-CD2 3.75Å; V608-L837 HydrophobicContact CB-CD1 4.14Å; V608-L837 HydrophobicContact CG1-CD1 4.24Å; V608-L837 HydrophobicContact CG2-CD1 3.93Å; V608-L837 HydrophobicContact CG2-CG 4.49Å; V608-Y841 HydrophobicContact CG1-CD1 3.8Å; V608-Y841 HydrophobicContact CG1-CG 3.89Å; V608-V845 HydrophobicContact CG1-CG2 4.18Å; V608-V845 HydrophobicContact CG2-CG2 4.17Å
609	M	90.8	Very high	90	Very high	39 Å²	39	58.9 Å²	58.9	19%	0.192	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-49.4	178	-174.6	71.7	93.9	0	0	111.5	T605 I606 T611 F612 I613 Y630 L633	T605-M609 VanDerWaalsContact O-CB 3.24Å; T605-M609 WeakPolarHBondContact O-CB 3.38Å; T605-M609 PolarHBondContact O-N 3.18Å; I606-M609 PolarHBondContact O-N 3.07Å; M609-T611 VanDerWaalsContact C-N 3.32Å; M609-T611 PolarHBondContact O-N 2.81Å; M609-F612 PolarHBondContact O-N 2.99Å; M609-I613 HydrophobicContact CG-CD1 3.92Å; M609-I613 WeakPolarHBondContact O-CG1 3.41Å; M609-I613 PolarHBondContact O-N 3.42Å; M609-I613 HydrophobicContact SD-CD1 4.4Å; M609-Y630 HydrophobicContact SD-CD1 3.66Å; M609-Y630 HydrophobicContact SD-CE1 4.21Å; M609-L633 HydrophobicContact CE-CB 3.51Å; M609-L633 HydrophobicContact SD-CB 4.07Å; M609-L633 HydrophobicContact SD-CD1 3.95Å
610	A	90	Very high	89.3	Confident	53 Å²	53	56.3 Å²	56.3	44%	0.438	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-40.9	178	0	0	0	0	0	111.9	I606 I613 R614	I606-A610 VanDerWaalsContact O-CB 3.28Å; I606-A610 WeakPolarHBondContact O-CB 3.45Å; I606-A610 PolarHBondContact O-N 2.84Å; A610-I613 PolarHBondContact O-N 3.04Å; A610-R614 WeakPolarHBondContact O-CB 3.44Å; A610-R614 PolarHBondContact O-N 3.05Å
611	T	89.5	Confident	88.8	Confident	12 Å²	12	52 Å²	52	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-45	174.4	-57.7	0	0	0	0	111.4	F607 V608 M609 I613 R614 Y615 V845 I848 I849	F607-T611 WeakPolarHBondContact O-CB 3.47Å; F607-T611 PolarHBondContact O-N 3.11Å; F607-T611 PolarHBondContact O-OG1 2.95Å; V608-T611 PolarHBondContact O-N 3.23Å; M609-T611 VanDerWaalsContact C-N 3.32Å; M609-T611 PolarHBondContact O-N 2.81Å; T611-I613 PolarHBondContact O-N 3.22Å; T611-R614 PolarHBondContact O-N 2.89Å; T611-Y615 HydrophobicContact CG2-CD2 3.96Å; T611-Y615 HydrophobicContact CG2-CE2 4.44Å; T611-Y615 WeakPolarHBondContact O-CB 3.46Å; T611-Y615 WeakPolarHBondContact O-CD2 3.41Å; T611-Y615 PolarHBondContact O-N 3.18Å; T611-V845 HydrophobicContact CG2-CG1 4.33Å; T611-V845 HydrophobicContact CG2-CG2 4.41Å; T611-I848 HydrophobicContact CG2-CG2 4.02Å; T611-I849 HydrophobicContact CG2-CD1 4.26Å; T611-I849 HydrophobicContact CG2-CG1 4.33Å
612	F	88.3	Confident	88.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-37.4	178.6	-92.4	-121.5	0	0	0	112.6	V608 M609 Y615 N616 V621 Y630 Y841 K844 V845 I848	V608-F612 HydrophobicContact CG1-CD2 4.24Å; V608-F612 HydrophobicContact CG1-CE2 4.4Å; V608-F612 WeakPolarHBondContact O-CD2 3.49Å; V608-F612 PolarHBondContact O-N 2.98Å; M609-F612 PolarHBondContact O-N 2.99Å; F612-Y615 CarbonylContact O-C 3.58Å; F612-N616 WeakPolarHBondContact O-CA 3.33Å; F612-N616 PolarHBondContact O-N 3.43Å; F612-V621 HydrophobicContact CD1-CG1 3.92Å; F612-V621 HydrophobicContact CD1-CG2 4.12Å; F612-V621 HydrophobicContact CE1-CG1 4.33Å; F612-V621 HydrophobicContact CE1-CG2 4.18Å; F612-V621 HydrophobicContact CG-CG2 4.34Å; F612-V621 HydrophobicContact CZ-CG2 4.46Å; F612-Y630 HydrophobicContact CB-CE1 4.04Å; F612-Y630 PolarHBondContact O-OH 2.86Å; F612-Y841 HydrophobicContact CD1-CE1 4.42Å; F612-Y841 HydrophobicContact CE1-CD1 4.01Å; F612-Y841 AromaticContact CE1-CE1 3.82Å; F612-Y841 HydrophobicContact CE1-CE1 3.82Å; F612-Y841 AromaticContact CE2-CD1 3.9Å; F612-Y841 HydrophobicContact CE2-CD1 3.9Å; F612-Y841 HydrophobicContact CE2-CE1 4.5Å; F612-Y841 AromaticContact CZ-CD1 3.57Å; F612-Y841 HydrophobicContact CZ-CD1 3.57Å; F612-Y841 AromaticContact CZ-CE1 3.88Å; F612-Y841 HydrophobicContact CZ-CE1 3.88Å; F612-K844 HydrophobicContact CE2-CB 4.47Å; F612-K844 HydrophobicContact CZ-CB 4.22Å; F612-K844 HydrophobicContact CZ-CD 4.05Å; F612-V845 HydrophobicContact CD2-CG2 4.26Å; F612-V845 HydrophobicContact CE2-CG2 3.86Å; F612-I848 HydrophobicContact CE2-CD1 4.36Å
613	I	88.4	Confident	87	Confident	103 Å²	103	60.5 Å²	60.5	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-45.6	173.9	-66.3	168	0	0	0	110.8	M609 A610 T611 Y615 N616 Y630	M609-I613 HydrophobicContact CG-CD1 3.92Å; M609-I613 WeakPolarHBondContact O-CG1 3.41Å; M609-I613 PolarHBondContact O-N 3.42Å; M609-I613 HydrophobicContact SD-CD1 4.4Å; A610-I613 PolarHBondContact O-N 3.04Å; T611-I613 PolarHBondContact O-N 3.22Å; I613-Y615 PolarHBondContact O-N 3.47Å; I613-N616 WeakPolarHBondContact O-CB 3.43Å; I613-N616 PolarHBondContact O-N 3.43Å; I613-Y630 HydrophobicContact CG1-CE1 3.84Å
614	R	88.6	Confident	86.2	Confident	178 Å²	178	55.6 Å²	55.6	67%	0.672	28%	0.282	S	S	*	.	H	α-helix	trans	-66	-24.4	-178.1	-177.7	57.8	-175.2	82	-2.9	113.7	A610 T611	A610-R614 WeakPolarHBondContact O-CB 3.44Å; A610-R614 PolarHBondContact O-N 3.05Å; T611-R614 PolarHBondContact O-N 2.89Å
615	Y	86.9	Confident	85.6	Confident	94 Å²	94	55 Å²	55	37%	0.369	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	27.2	-179.7	-65.2	-73.5	0	0	0	113.1	T611 F612 I613 D617 T618 I848	T611-Y615 HydrophobicContact CG2-CD2 3.96Å; T611-Y615 HydrophobicContact CG2-CE2 4.44Å; T611-Y615 WeakPolarHBondContact O-CB 3.46Å; T611-Y615 WeakPolarHBondContact O-CD2 3.41Å; T611-Y615 PolarHBondContact O-N 3.18Å; F612-Y615 CarbonylContact O-C 3.58Å; I613-Y615 PolarHBondContact O-N 3.47Å; Y615-D617 PolarHBondContact O-N 3.33Å; Y615-T618 HydrophobicContact CD1-CG2 4.19Å; Y615-T618 HydrophobicContact CG-CG2 4.46Å; Y615-T618 WeakPolarHBondContact O-CB 3.45Å; Y615-T618 WeakPolarHBondContact O-CG2 3.3Å; Y615-T618 PolarHBondContact O-N 3.21Å; Y615-T618 PolarHBondContact O-OG1 2.83Å; Y615-I848 HydrophobicContact CD1-CG2 4.49Å; Y615-I848 HydrophobicContact CD2-CG2 3.65Å; Y615-I848 HydrophobicContact CE2-CG2 4.21Å; Y615-I848 HydrophobicContact CG-CG2 3.81Å
616	N	84.2	Confident	85.1	Confident	46 Å²	46	57.7 Å²	57.7	25%	0.246	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.5	-172.4	-169.9	30.4	0	0	0	115.5	F612 I613 R626 Y630	F612-N616 WeakPolarHBondContact O-CA 3.33Å; F612-N616 PolarHBondContact O-N 3.43Å; I613-N616 WeakPolarHBondContact O-CB 3.43Å; I613-N616 PolarHBondContact O-N 3.43Å; N616-R626 WeakPolarHBondContact O-CD 3.23Å; N616-R626 PolarHBondContact O-NH1 2.9Å; N616-R626 VanDerWaalsContact OD1-CD 3.27Å; N616-R626 WeakPolarHBondContact OD1-CD 3.45Å; N616-Y630 VanDerWaalsContact CG-OH 3.26Å; N616-Y630 PolarHBondContact OD1-OH 3.14Å
617	D	80.4	Confident	84.9	Confident	96 Å²	96	57 Å²	57	51%	0.513	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-0.2	-179.4	-68.9	-48.6	0	0	0	115.1	Y615 R622 R626	Y615-D617 PolarHBondContact O-N 3.33Å; D617-R622 WeakPolarHBondContact O-CD 3.28Å; D617-R622 PolarHBondContact O-NE 2.95Å; D617-R622 IonicContact OD1-CZ 2.69Å; D617-R622 VanDerWaalsContact OD1-CZ 3.28Å; D617-R622 IonicContact OD1-NE 3.54Å; D617-R622 PolarHBondContact OD1-NE 3.1Å; D617-R622 VanDerWaalsContact OD1-NE 3.17Å; D617-R622 IonicContact OD1-NH2 2.67Å; D617-R622 PolarHBondContact OD1-NH2 3.49Å; D617-R626 IonicContact OD1-CZ 2.72Å; D617-R626 IonicContact OD1-NH1 2.71Å; D617-R626 PolarHBondContact OD1-NH1 3.3Å
618	T	83.3	Confident	84.6	Confident	22 Å²	22	52 Å²	52	14%	0.135	26%	0.262	C	S	.	.	S	Bend	trans	-63.5	147.2	173.8	60	0	0	0	0	111.8	Y615 I620 V621 R622 N855	Y615-T618 HydrophobicContact CD1-CG2 4.19Å; Y615-T618 HydrophobicContact CG-CG2 4.46Å; Y615-T618 WeakPolarHBondContact O-CB 3.45Å; Y615-T618 WeakPolarHBondContact O-CG2 3.3Å; Y615-T618 PolarHBondContact O-N 3.21Å; Y615-T618 PolarHBondContact O-OG1 2.83Å; T618-I620 PolarHBondContact O-N 3.47Å; T618-V621 PolarHBondContact O-N 3.43Å; T618-V621 WeakPolarHBondContact OG1-CG2 3.36Å; T618-R622 WeakPolarHBondContact O-CB 3.43Å; T618-R622 PolarHBondContact O-N 2.94Å; T618-N855 WeakPolarHBondContact CG2-ND2 3.35Å
619	P	78.3	Confident	84.4	Confident	47 Å²	47	52 Å²	52	31%	0.305	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-29.9	-177.6	23.8	-33.5	0	0	0	112.9	A623 N855	P619-A623 WeakPolarHBondContact O-CB 3.16Å; P619-A623 PolarHBondContact O-N 3.2Å; P619-N855 WeakPolarHBondContact CD-O 3.25Å; P619-N855 WeakPolarHBondContact CD-OD1 3.28Å; P619-N855 WeakPolarHBondContact CG-O 3.44Å
620	I	81.1	Confident	84.5	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.195	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-50.1	176.4	-65	172.9	0	0	0	111	T618 A623 S624 K844 I847 I848 N855	T618-I620 PolarHBondContact O-N 3.47Å; I620-A623 PolarHBondContact O-N 2.65Å; I620-S624 PolarHBondContact O-N 2.77Å; I620-S624 VanDerWaalsContact O-N 3.1Å; I620-K844 HydrophobicContact CG2-CB 4.34Å; I620-K844 HydrophobicContact CG2-CG 4.38Å; I620-I847 HydrophobicContact CD1-CB 4.32Å; I620-I847 HydrophobicContact CD1-CG2 3.52Å; I620-I848 HydrophobicContact CD1-CG1 4.38Å; I620-I848 HydrophobicContact CG2-CD1 4.2Å; I620-I848 HydrophobicContact CG2-CG1 4.41Å; I620-N855 HydrophobicContact CD1-CB 4.13Å; I620-N855 WeakPolarHBondContact CD1-OD1 3.48Å; I620-N855 WeakPolarHBondContact CG1-OD1 3.49Å
621	V	82.8	Confident	84.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-43.5	178.9	177.6	0	0	0	0	110.7	F612 T618 A623 S624 R626 I848	F612-V621 HydrophobicContact CD1-CG1 3.92Å; F612-V621 HydrophobicContact CD1-CG2 4.12Å; F612-V621 HydrophobicContact CE1-CG1 4.33Å; F612-V621 HydrophobicContact CE1-CG2 4.18Å; F612-V621 HydrophobicContact CG-CG2 4.34Å; F612-V621 HydrophobicContact CZ-CG2 4.46Å; T618-V621 PolarHBondContact O-N 3.43Å; T618-V621 WeakPolarHBondContact OG1-CG2 3.36Å; V621-A623 PolarHBondContact O-N 3.22Å; V621-S624 PolarHBondContact O-N 3.04Å; V621-R626 HydrophobicContact CG1-CG 4.19Å; V621-I848 HydrophobicContact CG2-CD1 3.74Å
622	R	79.9	Confident	84.7	Confident	142 Å²	142	50.7 Å²	50.7	54%	0.536	25%	0.246	S	C	.	.	H	α-helix	trans	-60.6	-39.7	174.8	-76.7	177.9	169.3	-164.9	-0.9	112.8	D617 T618 G625 R626	D617-R622 WeakPolarHBondContact O-CD 3.28Å; D617-R622 PolarHBondContact O-NE 2.95Å; D617-R622 IonicContact OD1-CZ 2.69Å; D617-R622 VanDerWaalsContact OD1-CZ 3.28Å; D617-R622 IonicContact OD1-NE 3.54Å; D617-R622 PolarHBondContact OD1-NE 3.1Å; D617-R622 VanDerWaalsContact OD1-NE 3.17Å; D617-R622 IonicContact OD1-NH2 2.67Å; D617-R622 PolarHBondContact OD1-NH2 3.49Å; T618-R622 WeakPolarHBondContact O-CB 3.43Å; T618-R622 PolarHBondContact O-N 2.94Å; R622-G625 PolarHBondContact O-N 3.35Å; R622-R626 HydrophobicContact CG-CG 4.5Å
623	A	74.1	Confident	85	Confident	63 Å²	63	50.7 Å²	50.7	52%	0.521	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-43.7	177.7	0	0	0	0	0	112.9	P619 I620 V621 G625	P619-A623 WeakPolarHBondContact O-CB 3.16Å; P619-A623 PolarHBondContact O-N 3.2Å; I620-A623 PolarHBondContact O-N 2.65Å; V621-A623 PolarHBondContact O-N 3.22Å; A623-G625 PolarHBondContact O-N 3.33Å
624	S	77.1	Confident	85.2	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.028	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-17.4	176.5	-176.6	0	0	0	0	113.4	I620 V621 S629 K676 E786 K844	I620-S624 PolarHBondContact O-N 2.77Å; I620-S624 VanDerWaalsContact O-N 3.1Å; V621-S624 PolarHBondContact O-N 3.04Å; S624-S629 PolarHBondContact O-OG 2.73Å; S624-S629 PolarHBondContact OG-OG 2.96Å; S624-K676 WeakPolarHBondContact O-CE 3.32Å; S624-K676 PolarHBondContact O-NZ 2.96Å; S624-K676 PolarHBondContact OG-NZ 3.36Å; S624-E786 PolarHBondContact OG-OE1 2.86Å; S624-K844 PolarHBondContact OG-NZ 3.46Å
625	G	81.9	Confident	85.4	Confident	12 Å²	12	40.4 Å²	40.4	12%	0.124	21%	0.207	C	C	.	.			trans	78	96.9	-174.5	0	0	0	0	0	109.9	R622 A623 S629	R622-G625 PolarHBondContact O-N 3.35Å; A623-G625 PolarHBondContact O-N 3.33Å; G625-S629 WeakPolarHBondContact O-CB 3.37Å; G625-S629 PolarHBondContact O-N 2.94Å; G625-S629 PolarHBondContact O-OG 2.66Å
626	R	83.1	Confident	85.7	Confident	60 Å²	60	36 Å²	36	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-55.2	-166.2	-43.3	-165.3	-63.9	-171.9	0.2	111.7	N616 D617 V621 R622 L628 S629 Y630	N616-R626 WeakPolarHBondContact O-CD 3.23Å; N616-R626 PolarHBondContact O-NH1 2.9Å; N616-R626 VanDerWaalsContact OD1-CD 3.27Å; N616-R626 WeakPolarHBondContact OD1-CD 3.45Å; D617-R626 IonicContact OD1-CZ 2.72Å; D617-R626 IonicContact OD1-NH1 2.71Å; D617-R626 PolarHBondContact OD1-NH1 3.3Å; V621-R626 HydrophobicContact CG1-CG 4.19Å; R622-R626 HydrophobicContact CG-CG 4.5Å; R626-L628 PolarHBondContact O-N 3.49Å; R626-S629 WeakPolarHBondContact O-CA 3.41Å; R626-S629 WeakPolarHBondContact O-CB 3.41Å; R626-S629 PolarHBondContact O-N 3.18Å; R626-Y630 HydrophobicContact CB-CD2 4.5Å; R626-Y630 HydrophobicContact CB-CE2 4.05Å; R626-Y630 VanDerWaalsContact O-CD2 3.29Å; R626-Y630 WeakPolarHBondContact O-CD2 3.32Å; R626-Y630 PolarHBondContact O-N 2.92Å
627	E	88.1	Confident	86.2	Confident	80 Å²	80	37.2 Å²	37.2	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-55.9	-48.2	-177.3	-34.6	-40.5	129.4	0	0	112.3	S629 Y630 V631 P699	E627-S629 VanDerWaalsContact C-N 3.29Å; E627-S629 PolarHBondContact O-N 3.33Å; E627-Y630 PolarHBondContact O-N 2.82Å; E627-V631 WeakPolarHBondContact O-CG2 3.28Å; E627-V631 PolarHBondContact O-N 3.07Å; E627-P699 HydrophobicContact CG-CB 4.32Å
628	L	87.3	Confident	86.8	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-29.6	176.7	-65.6	-172.4	0	0	0	113.1	R626 L632 T675 K676 Q702 T706	R626-L628 PolarHBondContact O-N 3.49Å; L628-L632 VanDerWaalsContact O-CB 3.29Å; L628-L632 WeakPolarHBondContact O-CB 3.11Å; L628-L632 PolarHBondContact O-N 2.65Å; L628-T675 HydrophobicContact CD1-CG2 3.96Å; L628-T675 HydrophobicContact CD2-CG2 4.24Å; L628-K676 HydrophobicContact CD1-CB 4.11Å; L628-Q702 HydrophobicContact CD1-CB 4.19Å; L628-Q702 VanDerWaalsContact CD1-OE1 3.25Å; L628-Q702 HydrophobicContact CD2-CB 4.29Å; L628-Q702 HydrophobicContact CG-CB 4.36Å; L628-T706 VanDerWaalsContact CD2-OG1 3.24Å; L628-T706 WeakPolarHBondContact CD2-OG1 3.4Å
629	S	89.7	Confident	87.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.5	-39.1	176.4	-54	0	0	0	0	110.6	S624 G625 R626 E627 L632 L633 Y841	S624-S629 PolarHBondContact O-OG 2.73Å; S624-S629 PolarHBondContact OG-OG 2.96Å; G625-S629 WeakPolarHBondContact O-CB 3.37Å; G625-S629 PolarHBondContact O-N 2.94Å; G625-S629 PolarHBondContact O-OG 2.66Å; R626-S629 WeakPolarHBondContact O-CA 3.41Å; R626-S629 WeakPolarHBondContact O-CB 3.41Å; R626-S629 PolarHBondContact O-N 3.18Å; E627-S629 VanDerWaalsContact C-N 3.29Å; E627-S629 PolarHBondContact O-N 3.33Å; S629-L632 PolarHBondContact O-N 3.1Å; S629-L633 WeakPolarHBondContact O-CG 3.38Å; S629-L633 PolarHBondContact O-N 2.71Å; S629-Y841 WeakPolarHBondContact CA-OH 3.25Å; S629-Y841 PolarHBondContact O-OH 3.34Å; S629-Y841 VanDerWaalsContact O-OH 3.06Å
630	Y	91.3	Very high	88	Confident	41 Å²	41	31.1 Å²	31.1	16%	0.161	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-45.6	173	-63.8	-49.5	0	0	0	112.4	M609 F612 I613 N616 R626 E627 L632 L633 T634	M609-Y630 HydrophobicContact SD-CD1 3.66Å; M609-Y630 HydrophobicContact SD-CE1 4.21Å; F612-Y630 HydrophobicContact CB-CE1 4.04Å; F612-Y630 PolarHBondContact O-OH 2.86Å; I613-Y630 HydrophobicContact CG1-CE1 3.84Å; N616-Y630 VanDerWaalsContact CG-OH 3.26Å; N616-Y630 PolarHBondContact OD1-OH 3.14Å; R626-Y630 HydrophobicContact CB-CD2 4.5Å; R626-Y630 HydrophobicContact CB-CE2 4.05Å; R626-Y630 VanDerWaalsContact O-CD2 3.29Å; R626-Y630 WeakPolarHBondContact O-CD2 3.32Å; R626-Y630 PolarHBondContact O-N 2.92Å; E627-Y630 PolarHBondContact O-N 2.82Å; Y630-L632 VanDerWaalsContact C-N 3.3Å; Y630-L632 PolarHBondContact O-N 3.16Å; Y630-L633 PolarHBondContact O-N 2.88Å; Y630-T634 PolarHBondContact O-N 3.47Å; Y630-T634 PolarHBondContact O-OG1 2.94Å; Y630-T634 VanDerWaalsContact O-OG1 3.12Å
631	V	92.8	Very high	88.5	Confident	31 Å²	31	32 Å²	32	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-42.6	175.5	175.5	0	0	0	0	111.4	E627 T634 G635 I668 A672 L703 T706 I710	E627-V631 WeakPolarHBondContact O-CG2 3.28Å; E627-V631 PolarHBondContact O-N 3.07Å; V631-T634 PolarHBondContact O-N 3.5Å; V631-G635 PolarHBondContact O-N 3.22Å; V631-I668 HydrophobicContact CG1-CG2 3.76Å; V631-I668 WeakPolarHBondContact O-CG2 3.45Å; V631-A672 HydrophobicContact CB-CB 4.49Å; V631-A672 HydrophobicContact CG1-CB 4.16Å; V631-L703 HydrophobicContact CG2-CD1 3.93Å; V631-T706 HydrophobicContact CG1-CG2 4.02Å; V631-I710 HydrophobicContact CG1-CD1 4.42Å
632	L	92.2	Very high	89	Confident	3 Å²	3	32 Å²	32	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-42.8	176.2	176.4	54.4	0	0	0	112.5	L628 S629 Y630 T634 G635 I636 S669 A672 L673 L840 Y841	L628-L632 VanDerWaalsContact O-CB 3.29Å; L628-L632 WeakPolarHBondContact O-CB 3.11Å; L628-L632 PolarHBondContact O-N 2.65Å; S629-L632 PolarHBondContact O-N 3.1Å; Y630-L632 VanDerWaalsContact C-N 3.3Å; Y630-L632 PolarHBondContact O-N 3.16Å; L632-T634 VanDerWaalsContact C-N 3.35Å; L632-G635 PolarHBondContact O-N 3.08Å; L632-I636 HydrophobicContact CD1-CD1 4.01Å; L632-I636 HydrophobicContact CD1-CG1 4.25Å; L632-I636 HydrophobicContact CG-CD1 4.04Å; L632-I636 WeakPolarHBondContact O-CG1 3.41Å; L632-I636 PolarHBondContact O-N 3.4Å; L632-S669 WeakPolarHBondContact CD1-O 3.16Å; L632-A672 HydrophobicContact CB-CB 3.91Å; L632-L673 HydrophobicContact CD1-CD1 4.12Å; L632-L673 HydrophobicContact CD1-CG 3.97Å; L632-L673 HydrophobicContact CD2-CD2 3.64Å; L632-L673 HydrophobicContact CD2-CG 3.92Å; L632-L840 HydrophobicContact CD2-CD1 3.95Å; L632-Y841 HydrophobicContact CD2-CE2 3.95Å; L632-Y841 WeakPolarHBondContact CD2-OH 3.4Å; L632-Y841 HydrophobicContact CG-CE2 4.19Å
633	L	92.9	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-35.4	176.7	-72.5	167.9	0	0	0	112.3	T605 V608 M609 S629 Y630 I636 F637 L837 Y841	T605-L633 HydrophobicContact CG2-CD2 4.44Å; V608-L633 HydrophobicContact CB-CD2 4.48Å; V608-L633 HydrophobicContact CG1-CD1 4.12Å; V608-L633 HydrophobicContact CG1-CD2 3.75Å; M609-L633 HydrophobicContact CE-CB 3.51Å; M609-L633 HydrophobicContact SD-CB 4.07Å; M609-L633 HydrophobicContact SD-CD1 3.95Å; S629-L633 WeakPolarHBondContact O-CG 3.38Å; S629-L633 PolarHBondContact O-N 2.71Å; Y630-L633 PolarHBondContact O-N 2.88Å; L633-I636 PolarHBondContact O-N 2.94Å; L633-F637 WeakPolarHBondContact O-CB 3.35Å; L633-F637 PolarHBondContact O-N 3.37Å; L633-L837 HydrophobicContact CD2-CD1 3.92Å; L633-Y841 HydrophobicContact CD1-CD1 4.4Å; L633-Y841 HydrophobicContact CD1-CE1 3.9Å; L633-Y841 HydrophobicContact CD2-CD1 4.26Å; L633-Y841 HydrophobicContact CD2-CD2 4.07Å; L633-Y841 HydrophobicContact CD2-CE1 4.1Å; L633-Y841 HydrophobicContact CD2-CE2 3.88Å; L633-Y841 HydrophobicContact CD2-CG 4.25Å; L633-Y841 HydrophobicContact CG-CE1 3.97Å; L633-Y841 HydrophobicContact CG-CE2 4.21Å
634	T	92.8	Very high	90.4	Very high	65 Å²	65	24.8 Å²	24.8	40%	0.399	12%	0.123	S	C	.	.	H	α-helix	trans	-64.5	-40.8	171.4	-59.3	0	0	0	0	111.9	Y630 V631 L632 F637 L638	Y630-T634 PolarHBondContact O-N 3.47Å; Y630-T634 PolarHBondContact O-OG1 2.94Å; Y630-T634 VanDerWaalsContact O-OG1 3.12Å; V631-T634 PolarHBondContact O-N 3.5Å; L632-T634 VanDerWaalsContact C-N 3.35Å; T634-F637 PolarHBondContact O-N 3.09Å; T634-L638 HydrophobicContact CG2-CD1 4.42Å; T634-L638 WeakPolarHBondContact O-CG 3.02Å; T634-L638 PolarHBondContact O-N 3.06Å; T634-L638 VanDerWaalsContact O-N 3.07Å
635	G	92.6	Very high	91.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-48.4	172.7	0	0	0	0	0	112.4	V631 L632 F637 L638 C639 S669	V631-G635 PolarHBondContact O-N 3.22Å; L632-G635 PolarHBondContact O-N 3.08Å; G635-F637 VanDerWaalsContact C-N 3.35Å; G635-F637 PolarHBondContact O-N 3.4Å; G635-L638 PolarHBondContact O-N 3.32Å; G635-C639 PolarHBondContact O-N 2.73Å; G635-C639 PolarHBondContact O-SG 3.48Å; G635-S669 WeakPolarHBondContact CA-OG 3.2Å
636	I	93.9	Very high	91.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-58.6	-43.9	176.7	-71.5	166.9	0	0	0	111.3	T605 L632 L633 L638 C639 Y640 S669 A833 A836 Y841	T605-I636 HydrophobicContact CG2-CG2 4.09Å; L632-I636 HydrophobicContact CD1-CD1 4.01Å; L632-I636 HydrophobicContact CD1-CG1 4.25Å; L632-I636 HydrophobicContact CG-CD1 4.04Å; L632-I636 WeakPolarHBondContact O-CG1 3.41Å; L632-I636 PolarHBondContact O-N 3.4Å; L633-I636 PolarHBondContact O-N 2.94Å; I636-L638 PolarHBondContact O-N 2.99Å; I636-C639 WeakPolarHBondContact O-CB 3.42Å; I636-C639 PolarHBondContact O-N 3.08Å; I636-Y640 HydrophobicContact CG2-CD2 4.21Å; I636-Y640 HydrophobicContact CG2-CE2 3.62Å; I636-Y640 WeakPolarHBondContact O-CD2 3.07Å; I636-Y640 PolarHBondContact O-N 2.98Å; I636-S669 PolarHBondContact N-OG 3.06Å; I636-A833 HydrophobicContact CG2-CB 4.35Å; I636-A836 HydrophobicContact CD1-CB 3.92Å; I636-A836 HydrophobicContact CG1-CB 4.34Å; I636-Y841 HydrophobicContact CD1-CE2 4.25Å
637	F	94.6	Very high	91.7	Very high	73 Å²	73	23.9 Å²	23.9	32%	0.32	12%	0.119	S	C	.	.	H	α-helix	trans	-59.3	-46.4	175.7	178.9	-98.5	0	0	0	112.1	I602 T605 I606 L633 T634 G635 C639 Y640 I641	I602-F637 HydrophobicContact CG2-CE2 4.11Å; T605-F637 HydrophobicContact CG2-CB 4.08Å; I606-F637 HydrophobicContact CD1-CE2 4.4Å; I606-F637 HydrophobicContact CG1-CE2 4.42Å; L633-F637 WeakPolarHBondContact O-CB 3.35Å; L633-F637 PolarHBondContact O-N 3.37Å; T634-F637 PolarHBondContact O-N 3.09Å; G635-F637 VanDerWaalsContact C-N 3.35Å; G635-F637 PolarHBondContact O-N 3.4Å; F637-C639 VanDerWaalsContact C-N 3.31Å; F637-C639 PolarHBondContact O-N 2.89Å; F637-Y640 PolarHBondContact O-N 3.28Å; F637-Y640 VanDerWaalsContact O-N 3.11Å; F637-I641 HydrophobicContact CD1-CG1 4.09Å; F637-I641 HydrophobicContact CE1-CD1 4.19Å; F637-I641 HydrophobicContact CE1-CG1 3.73Å; F637-I641 HydrophobicContact CE2-CD1 4.44Å; F637-I641 HydrophobicContact CE2-CG1 4.43Å; F637-I641 HydrophobicContact CZ-CD1 3.92Å; F637-I641 HydrophobicContact CZ-CG1 3.92Å; F637-I641 WeakPolarHBondContact O-CG1 3.3Å; F637-I641 PolarHBondContact O-N 3.1Å; F637-I641 VanDerWaalsContact O-N 3.11Å
638	L	92.4	Very high	91.8	Very high	31 Å²	31	21.1 Å²	21.1	16%	0.162	11%	0.109	C	C	.	.	H	α-helix	trans	-63.2	-35	176.8	-69	171.1	0	0	0	112.6	T634 G635 I636 Y640 I641 I642 F661 I668	T634-L638 HydrophobicContact CG2-CD1 4.42Å; T634-L638 WeakPolarHBondContact O-CG 3.02Å; T634-L638 PolarHBondContact O-N 3.06Å; T634-L638 VanDerWaalsContact O-N 3.07Å; G635-L638 PolarHBondContact O-N 3.32Å; I636-L638 PolarHBondContact O-N 2.99Å; L638-Y640 PolarHBondContact O-N 3.35Å; L638-I641 PolarHBondContact O-N 3.49Å; L638-I642 PolarHBondContact O-N 2.91Å; L638-I642 VanDerWaalsContact O-N 3.1Å; L638-F661 HydrophobicContact CD2-CD1 4.09Å; L638-F661 HydrophobicContact CD2-CE1 3.9Å; L638-I668 HydrophobicContact CD1-CD1 3.79Å
639	C	92.9	Very high	91.8	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-18.4	174.3	-66.5	0	0	0	0	114.5	G635 I636 F637 I642 M666 A833	G635-C639 PolarHBondContact O-N 2.73Å; G635-C639 PolarHBondContact O-SG 3.48Å; I636-C639 WeakPolarHBondContact O-CB 3.42Å; I636-C639 PolarHBondContact O-N 3.08Å; F637-C639 VanDerWaalsContact C-N 3.31Å; F637-C639 PolarHBondContact O-N 2.89Å; C639-I642 VanDerWaalsContact O-CG2 3.28Å; C639-I642 WeakPolarHBondContact O-CG2 3.28Å; C639-M666 HydrophobicContact CB-SD 4.4Å; C639-M666 PolarHBondContact SG-N 3.49Å; C639-M666 VanDerWaalsContact SG-N 3.42Å; C639-M666 PolarHBondContact SG-SD 3.49Å; C639-A833 HydrophobicContact CB-CB 3.91Å
640	Y	94.6	Very high	91.7	Very high	2 Å²	2	28 Å²	28	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-88.8	-42	169	-65.6	-61.8	0	0	0	111.8	G601 I602 T605 I636 F637 L638 I642 T643 N830 A833 S834	G601-Y640 WeakPolarHBondContact O-CE2 3.28Å; I602-Y640 HydrophobicContact CG1-CG 4.38Å; T605-Y640 WeakPolarHBondContact OG1-CE2 3.24Å; I636-Y640 HydrophobicContact CG2-CD2 4.21Å; I636-Y640 HydrophobicContact CG2-CE2 3.62Å; I636-Y640 WeakPolarHBondContact O-CD2 3.07Å; I636-Y640 PolarHBondContact O-N 2.98Å; F637-Y640 PolarHBondContact O-N 3.28Å; F637-Y640 VanDerWaalsContact O-N 3.11Å; L638-Y640 PolarHBondContact O-N 3.35Å; Y640-I642 VanDerWaalsContact C-N 3.32Å; Y640-I642 PolarHBondContact O-N 2.04Å; Y640-T643 WeakPolarHBondContact O-CB 3.44Å; Y640-T643 PolarHBondContact O-N 3.14Å; Y640-T643 VanDerWaalsContact O-N 3.12Å; Y640-T643 PolarHBondContact O-OG1 2.7Å; Y640-N830 VanDerWaalsContact CD1-OD1 3.32Å; Y640-N830 WeakPolarHBondContact CD1-OD1 3.25Å; Y640-A833 HydrophobicContact CD1-CB 4.34Å; Y640-A833 HydrophobicContact CD2-CB 4.46Å; Y640-A833 HydrophobicContact CE1-CB 3.8Å; Y640-A833 HydrophobicContact CE2-CB 3.92Å; Y640-S834 WeakPolarHBondContact OH-CA 3.44Å; Y640-S834 PolarHBondContact OH-N 3.04Å; Y640-S834 VanDerWaalsContact OH-N 3.13Å; Y640-S834 PolarHBondContact OH-OG 3.49Å
641	I	92.7	Very high	91.6	Very high	56 Å²	56	29.7 Å²	29.7	29%	0.287	15%	0.152	S	C	.	.	H	α-helix	trans	-61	-35.4	-178.7	-67.2	-70	0	0	0	113	I602 F637 L638 T643 F644	I602-I641 HydrophobicContact CD1-CD1 3.74Å; I602-I641 HydrophobicContact CD1-CG1 4.4Å; I602-I641 HydrophobicContact CG1-CD1 4.48Å; F637-I641 HydrophobicContact CD1-CG1 4.09Å; F637-I641 HydrophobicContact CE1-CD1 4.19Å; F637-I641 HydrophobicContact CE1-CG1 3.73Å; F637-I641 HydrophobicContact CE2-CD1 4.44Å; F637-I641 HydrophobicContact CE2-CG1 4.43Å; F637-I641 HydrophobicContact CZ-CD1 3.92Å; F637-I641 HydrophobicContact CZ-CG1 3.92Å; F637-I641 WeakPolarHBondContact O-CG1 3.3Å; F637-I641 PolarHBondContact O-N 3.1Å; F637-I641 VanDerWaalsContact O-N 3.11Å; L638-I641 PolarHBondContact O-N 3.49Å; I641-T643 PolarHBondContact O-N 3.46Å; I641-T643 VanDerWaalsContact O-N 3.1Å; I641-F644 PolarHBondContact O-N 2.85Å; I641-F644 VanDerWaalsContact O-N 3.14Å
642	I	91.8	Very high	91.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-28	175.5	-177.5	61.1	0	0	0	113.2	L638 C639 Y640 F644 L645 M646 F661 L662 M829	L638-I642 PolarHBondContact O-N 2.91Å; L638-I642 VanDerWaalsContact O-N 3.1Å; C639-I642 VanDerWaalsContact O-CG2 3.28Å; C639-I642 WeakPolarHBondContact O-CG2 3.28Å; Y640-I642 VanDerWaalsContact C-N 3.32Å; Y640-I642 PolarHBondContact O-N 2.04Å; I642-F644 VanDerWaalsContact C-N 3.31Å; I642-F644 PolarHBondContact O-N 3.43Å; I642-L645 HydrophobicContact CD1-CB 4.25Å; I642-L645 HydrophobicContact CD1-CD1 4.32Å; I642-L645 PolarHBondContact O-N 3.01Å; I642-M646 HydrophobicContact CD1-CG 4Å; I642-M646 HydrophobicContact CD1-SD 4.38Å; I642-M646 HydrophobicContact CG1-CG 4Å; I642-M646 WeakPolarHBondContact O-CG 3.34Å; I642-M646 PolarHBondContact O-N 2.83Å; I642-F661 HydrophobicContact CD1-CB 3.98Å; I642-L662 HydrophobicContact CD1-CB 4.29Å; I642-L662 HydrophobicContact CG1-CD1 4.33Å; I642-M829 HydrophobicContact CG1-SD 4.43Å; I642-M829 HydrophobicContact CG2-SD 3.97Å
643	T	92.2	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.4	-44.6	176.8	-46.8	0	0	0	0	112.2	P594 A598 Y640 I641 M646 I647 T826 N830	P594-T643 HydrophobicContact CB-CG2 3.66Å; A598-T643 HydrophobicContact CB-CG2 3.98Å; Y640-T643 WeakPolarHBondContact O-CB 3.44Å; Y640-T643 PolarHBondContact O-N 3.14Å; Y640-T643 VanDerWaalsContact O-N 3.12Å; Y640-T643 PolarHBondContact O-OG1 2.7Å; I641-T643 PolarHBondContact O-N 3.46Å; I641-T643 VanDerWaalsContact O-N 3.1Å; T643-M646 PolarHBondContact O-N 3.35Å; T643-I647 HydrophobicContact CG2-CD1 4.06Å; T643-I647 WeakPolarHBondContact O-CG1 3.21Å; T643-I647 PolarHBondContact O-N 3.41Å; T643-T826 HydrophobicContact CG2-CG2 4.3Å; T643-N830 PolarHBondContact OG1-ND2 2.9Å
644	F	92.3	Very high	91.2	Very high	52 Å²	52	35 Å²	35	23%	0.228	19%	0.189	C	C	.	.	H	α-helix	trans	-70.7	-39.6	-179.3	-60.3	-91.2	0	0	0	111.5	W586 V595 A598 M599 I602 I641 I642 M646 I647 A648	W586-F644 HydrophobicContact CH2-CB 4.4Å; W586-F644 HydrophobicContact CH2-CD1 4.37Å; W586-F644 HydrophobicContact CZ3-CD1 4.18Å; V595-F644 HydrophobicContact CG1-CE1 3.84Å; V595-F644 HydrophobicContact CG1-CZ 4.3Å; V595-F644 HydrophobicContact CG2-CE1 4.49Å; A598-F644 HydrophobicContact CB-CE2 3.79Å; A598-F644 HydrophobicContact CB-CZ 4.18Å; M599-F644 HydrophobicContact CG-CZ 3.97Å; M599-F644 HydrophobicContact SD-CE1 4.2Å; M599-F644 HydrophobicContact SD-CZ 3.66Å; I602-F644 HydrophobicContact CD1-CE2 3.74Å; I602-F644 HydrophobicContact CD1-CZ 4.41Å; I641-F644 PolarHBondContact O-N 2.85Å; I641-F644 VanDerWaalsContact O-N 3.14Å; I642-F644 VanDerWaalsContact C-N 3.31Å; I642-F644 PolarHBondContact O-N 3.43Å; F644-M646 VanDerWaalsContact C-N 3.33Å; F644-M646 PolarHBondContact O-N 2.88Å; F644-I647 PolarHBondContact O-N 3.43Å; F644-A648 WeakPolarHBondContact O-CB 3.43Å; F644-A648 PolarHBondContact O-N 3.27Å
645	L	90.9	Very high	91.1	Very high	34 Å²	34	32.2 Å²	32.2	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-40.4	175.5	-66.9	173.4	0	0	0	111.6	I642 I647 V654 F657 R658 F661	I642-L645 HydrophobicContact CD1-CB 4.25Å; I642-L645 HydrophobicContact CD1-CD1 4.32Å; I642-L645 PolarHBondContact O-N 3.01Å; L645-I647 VanDerWaalsContact C-N 3.33Å; L645-I647 PolarHBondContact O-N 3.11Å; L645-V654 WeakPolarHBondContact O-CG1 3.35Å; L645-F657 HydrophobicContact CD1-CB 4.04Å; L645-F657 HydrophobicContact CD2-CB 4.01Å; L645-R658 HydrophobicContact CB-CG 4.43Å; L645-R658 VanDerWaalsContact O-CZ 3.24Å; L645-R658 PolarHBondContact O-NE 3.4Å; L645-R658 PolarHBondContact O-NH2 3.36Å; L645-F661 HydrophobicContact CD1-CB 4.24Å; L645-F661 HydrophobicContact CD1-CD2 3.69Å; L645-F661 HydrophobicContact CD1-CG 4.32Å
646	M	88.1	Confident	90.9	Very high	20 Å²	20	33.6 Å²	33.6	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-69.2	-26.4	178.2	-70.5	-62.2	-65.8	0	0	113.7	I642 T643 F644 R658 L662 T822 L825 T826	I642-M646 HydrophobicContact CD1-CG 4Å; I642-M646 HydrophobicContact CD1-SD 4.38Å; I642-M646 HydrophobicContact CG1-CG 4Å; I642-M646 WeakPolarHBondContact O-CG 3.34Å; I642-M646 PolarHBondContact O-N 2.83Å; T643-M646 PolarHBondContact O-N 3.35Å; F644-M646 VanDerWaalsContact C-N 3.33Å; F644-M646 PolarHBondContact O-N 2.88Å; M646-R658 PolarHBondContact O-NH2 2.87Å; M646-R658 HydrophobicContact SD-CB 4.23Å; M646-R658 HydrophobicContact SD-CG 3.76Å; M646-L662 HydrophobicContact SD-CD1 4.18Å; M646-T822 HydrophobicContact CB-CG2 4.3Å; M646-T822 HydrophobicContact CE-CG2 4.37Å; M646-L825 HydrophobicContact CE-CD2 3.98Å; M646-T826 HydrophobicContact CB-CG2 3.7Å; M646-T826 HydrophobicContact CG-CG2 4.05Å
647	I	89.8	Confident	90.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-95.8	-24.2	-178.1	-67.8	169.8	0	0	0	113	L584 W586 A591 P594 V595 T643 F644 L645	L584-I647 HydrophobicContact CD2-CB 4.4Å; L584-I647 HydrophobicContact CD2-CG1 4.11Å; L584-I647 HydrophobicContact CD2-CG2 4.29Å; W586-I647 HydrophobicContact CD2-CG2 3.93Å; W586-I647 HydrophobicContact CE3-CB 4.43Å; W586-I647 HydrophobicContact CE3-CG2 3.49Å; W586-I647 VanDerWaalsContact CE3-CG2 3.49Å; W586-I647 HydrophobicContact CH2-CB 4.24Å; W586-I647 HydrophobicContact CH2-CG2 4.04Å; W586-I647 HydrophobicContact CZ2-CG2 4.44Å; W586-I647 HydrophobicContact CZ3-CB 4Å; W586-I647 HydrophobicContact CZ3-CG2 3.55Å; A591-I647 HydrophobicContact CB-CD1 4.29Å; A591-I647 HydrophobicContact CB-CG2 3.81Å; P594-I647 HydrophobicContact CB-CD1 4.17Å; V595-I647 HydrophobicContact CG2-CD1 3.67Å; T643-I647 HydrophobicContact CG2-CD1 4.06Å; T643-I647 WeakPolarHBondContact O-CG1 3.21Å; T643-I647 PolarHBondContact O-N 3.41Å; F644-I647 PolarHBondContact O-N 3.43Å; L645-I647 VanDerWaalsContact C-N 3.33Å; L645-I647 PolarHBondContact O-N 3.11Å
648	A	89.8	Confident	90.5	Very high	22 Å²	22	36.9 Å²	36.9	18%	0.182	20%	0.196	C	C	.	.	S	Bend	trans	-54.8	158	176.5	0	0	0	0	0	113.5	W586 F644 V654 R658	W586-A648 HydrophobicContact CZ2-CB 4.08Å; F644-A648 WeakPolarHBondContact O-CB 3.43Å; F644-A648 PolarHBondContact O-N 3.27Å; A648-V654 HydrophobicContact CB-CG1 4.09Å; A648-V654 HydrophobicContact CB-CG2 4.48Å; A648-R658 PolarHBondContact O-NH2 3.11Å
649	K	88.1	Confident	90.3	Very high	139 Å²	139	35.8 Å²	35.8	60%	0.604	19%	0.189	S	C	*	.	P	Polyproline II helix	trans	-54.9	130.4	173.3	-173.9	-162.6	168.6	-169.4	0	109.3	D651 L747	K649-D651 PolarHBondContact O-N 3.33Å; K649-L747 HydrophobicContact CG-CD2 4.37Å
650	P	88.3	Confident	90.1	Very high	11 Å²	11	37.1 Å²	37.1	7%	0.071	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-57.6	132.2	170.7	-24.4	35	0	0	0	111.3	I728 L747	P650-I728 HydrophobicContact CB-CG2 4.28Å; P650-L747 HydrophobicContact CB-CD2 4.43Å; P650-L747 HydrophobicContact CB-CG 4.12Å; P650-L747 HydrophobicContact CG-CG 4.22Å
651	D	88.7	Confident	89.8	Confident	75 Å²	75	39.7 Å²	39.7	40%	0.401	21%	0.209	S	C	.	.			trans	-159.3	156.5	-179.8	168.7	57.2	0	0	0	107.1	K649 A653 V654 C655	K649-D651 PolarHBondContact O-N 3.33Å; D651-A653 VanDerWaalsContact C-N 3.26Å; D651-A653 PolarHBondContact O-N 3.12Å; D651-A653 WeakPolarHBondContact OD2-CB 3.3Å; D651-A653 PolarHBondContact OD2-N 3.34Å; D651-A653 VanDerWaalsContact OD2-N 3.11Å; D651-V654 HydrophobicContact CB-CB 4.31Å; D651-V654 HydrophobicContact CB-CG2 4.14Å; D651-V654 PolarHBondContact O-N 2.79Å; D651-C655 WeakPolarHBondContact O-CB 3.46Å; D651-C655 PolarHBondContact O-N 3.3Å; D651-C655 PolarHBondContact O-SG 3.4Å
652	V	88.7	Confident	89.6	Confident	72 Å²	72	37.2 Å²	37.2	44%	0.436	20%	0.196	S	C	.	.	H	α-helix	trans	-55.2	-41.4	-176.7	178.2	0	0	0	0	111.6	S656	V652-S656 WeakPolarHBondContact O-CB 3.44Å; V652-S656 PolarHBondContact O-N 3.4Å; V652-S656 PolarHBondContact O-OG 2.99Å
653	A	89.4	Confident	89.3	Confident	47 Å²	47	37.2 Å²	37.2	39%	0.388	20%	0.196	S	C	.	.	H	α-helix	trans	-68.6	-43.1	176.7	0	0	0	0	0	111.9	D651 S656 F657	D651-A653 VanDerWaalsContact C-N 3.26Å; D651-A653 PolarHBondContact O-N 3.12Å; D651-A653 WeakPolarHBondContact OD2-CB 3.3Å; D651-A653 PolarHBondContact OD2-N 3.34Å; D651-A653 VanDerWaalsContact OD2-N 3.11Å; A653-S656 WeakPolarHBondContact O-CB 3.19Å; A653-S656 PolarHBondContact O-N 3.1Å; A653-F657 WeakPolarHBondContact O-CD2 3.22Å; A653-F657 PolarHBondContact O-N 2.89Å
654	V	91.2	Very high	89.2	Confident	27 Å²	27	38 Å²	38	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-44.8	178.9	175.1	0	0	0	0	111.3	L645 A648 D651 S656 F657 R658	L645-V654 WeakPolarHBondContact O-CG1 3.35Å; A648-V654 HydrophobicContact CB-CG1 4.09Å; A648-V654 HydrophobicContact CB-CG2 4.48Å; D651-V654 HydrophobicContact CB-CB 4.31Å; D651-V654 HydrophobicContact CB-CG2 4.14Å; D651-V654 PolarHBondContact O-N 2.79Å; V654-S656 VanDerWaalsContact C-N 3.34Å; V654-S656 PolarHBondContact O-N 3.47Å; V654-F657 PolarHBondContact O-N 2.92Å; V654-R658 WeakPolarHBondContact O-CG 3.29Å; V654-R658 PolarHBondContact O-N 3.13Å
655	C	89.9	Confident	89.1	Confident	7 Å²	7	35.6 Å²	35.6	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-38.3	177.3	-60.9	0	0	0	0	111.7	D651 R658 R659 C749	D651-C655 WeakPolarHBondContact O-CB 3.46Å; D651-C655 PolarHBondContact O-N 3.3Å; D651-C655 PolarHBondContact O-SG 3.4Å; C655-R658 PolarHBondContact O-N 2.69Å; C655-R659 PolarHBondContact O-N 2.97Å; C655-R659 VanDerWaalsContact O-N 3.14Å; C655-C749 VanDerWaalsContact CA-SG 3.52Å; C655-C749 HydrophobicContact CB-CB 3.75Å; C655-C749 WeakPolarHBondContact CB-SG 3.39Å; C655-C749 VanDerWaalsContact SG-CA 3.53Å; C655-C749 WeakPolarHBondContact SG-CB 3.48Å; C655-C749 CovalentContact SG-SG 2.04Å; C655-C749 PolarHBondContact SG-SG 3.39Å
656	S	89.5	Confident	89.1	Confident	29 Å²	29	34.2 Å²	34.2	20%	0.203	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-50	171.1	-58.8	0	0	0	0	112	V652 A653 V654 R658 R659 V660 P726	V652-S656 WeakPolarHBondContact O-CB 3.44Å; V652-S656 PolarHBondContact O-N 3.4Å; V652-S656 PolarHBondContact O-OG 2.99Å; A653-S656 WeakPolarHBondContact O-CB 3.19Å; A653-S656 PolarHBondContact O-N 3.1Å; V654-S656 VanDerWaalsContact C-N 3.34Å; V654-S656 PolarHBondContact O-N 3.47Å; S656-R658 PolarHBondContact O-N 2.79Å; S656-R659 WeakPolarHBondContact O-CB 3.2Å; S656-R659 PolarHBondContact O-N 2.96Å; S656-V660 PolarHBondContact O-N 3.25Å; S656-P726 WeakPolarHBondContact OG-CG 3.44Å
657	F	90.3	Very high	89.4	Confident	109 Å²	109	33.3 Å²	33.3	48%	0.478	18%	0.178	S	C	.	.	H	α-helix	trans	-67.9	-33.9	-179.8	-72.3	-55.4	0	0	0	113.4	L645 A653 V654 V660 F661	L645-F657 HydrophobicContact CD1-CB 4.04Å; L645-F657 HydrophobicContact CD2-CB 4.01Å; A653-F657 WeakPolarHBondContact O-CD2 3.22Å; A653-F657 PolarHBondContact O-N 2.89Å; V654-F657 PolarHBondContact O-N 2.92Å; F657-V660 PolarHBondContact O-N 3.45Å; F657-F661 HydrophobicContact CB-CD2 4.27Å; F657-F661 HydrophobicContact CD1-CD2 4.32Å; F657-F661 AromaticContact CD1-CE2 3.79Å; F657-F661 HydrophobicContact CD1-CE2 3.79Å; F657-F661 WeakPolarHBondContact O-CD2 3.33Å; F657-F661 PolarHBondContact O-N 3.41Å
658	R	89.5	Confident	89.6	Confident	34 Å²	34	34 Å²	34	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-55.9	-53.3	170	-73.4	174.4	-171.9	-173	0.1	110.7	L645 M646 A648 V654 C655 S656 V660 F661 L662	L645-R658 HydrophobicContact CB-CG 4.43Å; L645-R658 VanDerWaalsContact O-CZ 3.24Å; L645-R658 PolarHBondContact O-NE 3.4Å; L645-R658 PolarHBondContact O-NH2 3.36Å; M646-R658 PolarHBondContact O-NH2 2.87Å; M646-R658 HydrophobicContact SD-CB 4.23Å; M646-R658 HydrophobicContact SD-CG 3.76Å; A648-R658 PolarHBondContact O-NH2 3.11Å; V654-R658 WeakPolarHBondContact O-CG 3.29Å; V654-R658 PolarHBondContact O-N 3.13Å; C655-R658 PolarHBondContact O-N 2.69Å; S656-R658 PolarHBondContact O-N 2.79Å; R658-V660 VanDerWaalsContact C-N 3.26Å; R658-V660 PolarHBondContact O-N 2.68Å; R658-F661 PolarHBondContact O-N 2.88Å; R658-L662 WeakPolarHBondContact O-CB 3.39Å; R658-L662 PolarHBondContact O-N 3.14Å
659	R	87.9	Confident	89.8	Confident	8 Å²	8	33.4 Å²	33.4	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-55.7	-37.9	-177.9	-157.2	-174.7	-163.5	115.2	-6.1	112.8	C655 S656 W720 F721 D724	C655-R659 PolarHBondContact O-N 2.97Å; C655-R659 VanDerWaalsContact O-N 3.14Å; S656-R659 WeakPolarHBondContact O-CB 3.2Å; S656-R659 PolarHBondContact O-N 2.96Å; R659-W720 HydrophobicContact CG-CE3 4.07Å; R659-W720 HydrophobicContact CG-CH2 3.95Å; R659-W720 HydrophobicContact CG-CZ2 4.38Å; R659-W720 HydrophobicContact CG-CZ3 3.79Å; R659-W720 VanDerWaalsContact NH2-CE2 3.31Å; R659-W720 PolarHBondContact NH2-O 3.04Å; R659-W720 VanDerWaalsContact NH2-O 3.09Å; R659-F721 HydrophobicContact CB-CE1 4.41Å; R659-F721 HydrophobicContact CB-CZ 4.23Å; R659-D724 IonicContact CZ-OD2 3.52Å; R659-D724 PolarHBondContact NH1-O 3.22Å; R659-D724 IonicContact NH1-OD2 3.42Å; R659-D724 VanDerWaalsContact NH2-CG 3.26Å; R659-D724 PolarHBondContact NH2-O 2.69Å; R659-D724 IonicContact NH2-OD2 2.74Å; R659-D724 PolarHBondContact NH2-OD2 2.76Å
660	V	88.6	Confident	90	Very high	31 Å²	31	27.1 Å²	27.1	19%	0.188	15%	0.149	C	C	.	.	H	α-helix	trans	-71.8	-61.2	174.6	179	0	0	0	0	111.8	S656 F657 R658 L662 L664 V717 F721	S656-V660 PolarHBondContact O-N 3.25Å; F657-V660 PolarHBondContact O-N 3.45Å; R658-V660 VanDerWaalsContact C-N 3.26Å; R658-V660 PolarHBondContact O-N 2.68Å; V660-L662 PolarHBondContact O-N 2.96Å; V660-L664 HydrophobicContact CG1-CD2 3.91Å; V660-L664 WeakPolarHBondContact O-CB 3.48Å; V660-L664 PolarHBondContact O-N 3.22Å; V660-V717 HydrophobicContact CG2-CG1 4.09Å; V660-F721 HydrophobicContact CG2-CE2 3.64Å; V660-F721 HydrophobicContact CG2-CZ 3.76Å
661	F	89.1	Confident	90.3	Very high	55 Å²	55	26.6 Å²	26.6	24%	0.241	15%	0.146	C	C	.	.	H	α-helix	trans	-78.7	-22.9	-162.3	-72.4	-64	0	0	0	114.1	L638 I642 L645 F657 R658 G663 L664 G665	L638-F661 HydrophobicContact CD2-CD1 4.09Å; L638-F661 HydrophobicContact CD2-CE1 3.9Å; I642-F661 HydrophobicContact CD1-CB 3.98Å; L645-F661 HydrophobicContact CD1-CB 4.24Å; L645-F661 HydrophobicContact CD1-CD2 3.69Å; L645-F661 HydrophobicContact CD1-CG 4.32Å; F657-F661 HydrophobicContact CB-CD2 4.27Å; F657-F661 HydrophobicContact CD1-CD2 4.32Å; F657-F661 AromaticContact CD1-CE2 3.79Å; F657-F661 HydrophobicContact CD1-CE2 3.79Å; F657-F661 WeakPolarHBondContact O-CD2 3.33Å; F657-F661 PolarHBondContact O-N 3.41Å; R658-F661 PolarHBondContact O-N 2.88Å; F661-G663 PolarHBondContact O-N 3.24Å; F661-L664 HydrophobicContact CD1-CD2 4.34Å; F661-L664 HydrophobicContact CE1-CD2 4.38Å; F661-L664 PolarHBondContact O-N 2.94Å; F661-G665 PolarHBondContact O-N 3.37Å
662	L	87.1	Confident	90.5	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-55.9	-47.1	179.8	-173	73.3	0	0	0	112.7	I642 M646 R658 V660 I756 L760 L825 M829	I642-L662 HydrophobicContact CD1-CB 4.29Å; I642-L662 HydrophobicContact CG1-CD1 4.33Å; M646-L662 HydrophobicContact SD-CD1 4.18Å; R658-L662 WeakPolarHBondContact O-CB 3.39Å; R658-L662 PolarHBondContact O-N 3.14Å; V660-L662 PolarHBondContact O-N 2.96Å; L662-I756 HydrophobicContact CD2-CG2 4.36Å; L662-L760 HydrophobicContact CG-CD2 4.27Å; L662-L825 HydrophobicContact CD1-CD1 4.43Å; L662-L825 HydrophobicContact CD1-CD2 4.03Å; L662-L825 HydrophobicContact CD1-CG 4.34Å; L662-M829 HydrophobicContact CD1-CE 3.55Å; L662-M829 HydrophobicContact CD1-SD 4.09Å; L662-M829 HydrophobicContact CG-CE 4.08Å; L662-M829 VanDerWaalsContact O-CE 3.24Å; L662-M829 WeakPolarHBondContact O-CE 3.44Å
663	G	86.6	Confident	90.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-86.7	-32.5	174.6	0	0	0	0	0	113.8	F661 C667 S763	F661-G663 PolarHBondContact O-N 3.24Å; G663-C667 VanDerWaalsContact O-CB 3.32Å; G663-C667 WeakPolarHBondContact O-CB 3.47Å; G663-C667 PolarHBondContact O-N 3.2Å; G663-S763 PolarHBondContact O-OG 3.3Å
664	L	90.6	Very high	90.7	Very high	18 Å²	18	18.3 Å²	18.3	9%	0.094	9%	0.092	C	C	.	.	H	α-helix	trans	-71.1	-42.5	-166.4	-176.4	60.6	0	0	0	114.2	V660 F661 M666 C667 I668 I710 L714	V660-L664 HydrophobicContact CG1-CD2 3.91Å; V660-L664 WeakPolarHBondContact O-CB 3.48Å; V660-L664 PolarHBondContact O-N 3.22Å; F661-L664 HydrophobicContact CD1-CD2 4.34Å; F661-L664 HydrophobicContact CE1-CD2 4.38Å; F661-L664 PolarHBondContact O-N 2.94Å; L664-M666 PolarHBondContact O-N 2.9Å; L664-C667 PolarHBondContact O-N 3.47Å; L664-I668 HydrophobicContact CD1-CD1 3.96Å; L664-I668 HydrophobicContact CD1-CG1 4.09Å; L664-I668 HydrophobicContact CG-CD1 3.81Å; L664-I668 HydrophobicContact CG-CG1 4.39Å; L664-I668 VanDerWaalsContact O-CG1 3.3Å; L664-I668 WeakPolarHBondContact O-CG1 3.3Å; L664-I668 PolarHBondContact O-N 2.75Å; L664-I710 HydrophobicContact CD1-CG2 4.03Å; L664-L714 HydrophobicContact CD1-CD2 3.7Å; L664-L714 HydrophobicContact CD1-CG 4.03Å; L664-L714 HydrophobicContact CD2-CD2 3.86Å; L664-L714 HydrophobicContact CG-CD2 4.41Å
665	G	90.2	Very high	90.7	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-43.2	-179.5	0	0	0	0	0	112.6	F661 S669	F661-G665 PolarHBondContact O-N 3.37Å; G665-S669 WeakPolarHBondContact O-CB 3.48Å; G665-S669 PolarHBondContact O-N 3.11Å; G665-S669 VanDerWaalsContact O-N 3.12Å; G665-S669 PolarHBondContact O-OG 3.18Å
666	M	90.3	Very high	90.5	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-41.4	175.6	-63.7	-58.5	-54.3	0	0	111.2	C639 L664 S669 Y670 W801 M829	C639-M666 HydrophobicContact CB-SD 4.4Å; C639-M666 PolarHBondContact SG-N 3.49Å; C639-M666 VanDerWaalsContact SG-N 3.42Å; C639-M666 PolarHBondContact SG-SD 3.49Å; L664-M666 PolarHBondContact O-N 2.9Å; M666-S669 PolarHBondContact O-N 3.24Å; M666-Y670 HydrophobicContact CE-CD2 4.23Å; M666-Y670 HydrophobicContact CE-CE2 3.33Å; M666-Y670 WeakPolarHBondContact O-CD2 3.33Å; M666-Y670 PolarHBondContact O-N 3.34Å; M666-W801 HydrophobicContact CE-CZ2 3.82Å; M666-W801 HydrophobicContact CG-CZ2 4.41Å; M666-W801 HydrophobicContact SD-CZ2 4.2Å; M666-M829 HydrophobicContact CG-CE 4.34Å
667	C	93.9	Very high	90.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-49.3	176.8	179.9	0	0	0	0	112	G663 L664 S669 Y670 A671 Q713 S763	G663-C667 VanDerWaalsContact O-CB 3.32Å; G663-C667 WeakPolarHBondContact O-CB 3.47Å; G663-C667 PolarHBondContact O-N 3.2Å; L664-C667 PolarHBondContact O-N 3.47Å; C667-S669 VanDerWaalsContact C-N 3.29Å; C667-S669 PolarHBondContact O-N 3.3Å; C667-Y670 PolarHBondContact O-N 2.99Å; C667-A671 WeakPolarHBondContact O-CB 3.35Å; C667-A671 PolarHBondContact O-N 3.28Å; C667-Q713 HydrophobicContact CB-CB 4.07Å; C667-Q713 HydrophobicContact CB-CG 3.97Å; C667-Q713 VanDerWaalsContact SG-CB 3.54Å; C667-S763 WeakPolarHBondContact CA-OG 3.25Å; C667-S763 PolarHBondContact N-OG 3.01Å; C667-S763 VanDerWaalsContact N-OG 3.16Å
668	I	94.3	Very high	90.3	Very high	19 Å²	19	12.6 Å²	12.6	10%	0.097	6%	0.063	C	C	.	.	H	α-helix	trans	-57	-45.6	177.1	-68.2	165.7	0	0	0	110.5	V631 L638 L664 A672 I710	V631-I668 HydrophobicContact CG1-CG2 3.76Å; V631-I668 WeakPolarHBondContact O-CG2 3.45Å; L638-I668 HydrophobicContact CD1-CD1 3.79Å; L664-I668 HydrophobicContact CD1-CD1 3.96Å; L664-I668 HydrophobicContact CD1-CG1 4.09Å; L664-I668 HydrophobicContact CG-CD1 3.81Å; L664-I668 HydrophobicContact CG-CG1 4.39Å; L664-I668 VanDerWaalsContact O-CG1 3.3Å; L664-I668 WeakPolarHBondContact O-CG1 3.3Å; L664-I668 PolarHBondContact O-N 2.75Å; I668-A672 WeakPolarHBondContact O-CB 3.39Å; I668-A672 PolarHBondContact O-N 3.14Å; I668-A672 VanDerWaalsContact O-N 3.15Å; I668-I710 HydrophobicContact CB-CD1 4.34Å; I668-I710 HydrophobicContact CG1-CD1 3.92Å; I668-I710 HydrophobicContact CG1-CG1 4.04Å; I668-I710 HydrophobicContact CG1-CG2 4.14Å; I668-I710 HydrophobicContact CG2-CD1 4.35Å
669	S	93.1	Very high	90.1	Very high	8 Å²	8	14.2 Å²	14.2	6%	0.056	7%	0.069	C	C	.	.	H	α-helix	trans	-61.3	-52.4	179.3	-57.3	0	0	0	0	112	L632 G635 I636 G665 M666 C667 A672 L673	L632-S669 WeakPolarHBondContact CD1-O 3.16Å; G635-S669 WeakPolarHBondContact CA-OG 3.2Å; I636-S669 PolarHBondContact N-OG 3.06Å; G665-S669 WeakPolarHBondContact O-CB 3.48Å; G665-S669 PolarHBondContact O-N 3.11Å; G665-S669 VanDerWaalsContact O-N 3.12Å; G665-S669 PolarHBondContact O-OG 3.18Å; M666-S669 PolarHBondContact O-N 3.24Å; C667-S669 VanDerWaalsContact C-N 3.29Å; C667-S669 PolarHBondContact O-N 3.3Å; S669-A672 PolarHBondContact O-N 3.19Å; S669-L673 WeakPolarHBondContact O-CG 3.2Å; S669-L673 PolarHBondContact O-N 2.85Å; S669-L673 VanDerWaalsContact O-N 3.1Å
670	Y	93.4	Very high	89.9	Confident	8 Å²	8	14.9 Å²	14.9	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-74	-29.5	-178.8	-66.7	-48.8	0	0	0	113.6	M666 C667 L673 L674 S763 M767 C770 M794 T797 S832	M666-Y670 HydrophobicContact CE-CD2 4.23Å; M666-Y670 HydrophobicContact CE-CE2 3.33Å; M666-Y670 WeakPolarHBondContact O-CD2 3.33Å; M666-Y670 PolarHBondContact O-N 3.34Å; C667-Y670 PolarHBondContact O-N 2.99Å; Y670-L673 HydrophobicContact CD1-CD1 4.08Å; Y670-L673 PolarHBondContact O-N 3.37Å; Y670-L674 VanDerWaalsContact O-CB 3.23Å; Y670-L674 WeakPolarHBondContact O-CB 3.36Å; Y670-L674 PolarHBondContact O-N 3.02Å; Y670-S763 WeakPolarHBondContact CD2-O 3.32Å; Y670-M767 HydrophobicContact CD1-CB 4.31Å; Y670-M767 HydrophobicContact CD1-CG 4.49Å; Y670-M767 HydrophobicContact CD2-CB 3.92Å; Y670-M767 HydrophobicContact CE1-CB 4.1Å; Y670-M767 HydrophobicContact CE1-CG 3.88Å; Y670-M767 HydrophobicContact CE2-CB 3.66Å; Y670-M767 HydrophobicContact CE2-CG 4.04Å; Y670-M767 HydrophobicContact CE2-SD 4.39Å; Y670-M767 HydrophobicContact CG-CB 4.24Å; Y670-M767 PolarHBondContact OH-SD 3.06Å; Y670-M767 VanDerWaalsContact OH-SD 3.42Å; Y670-C770 PolarHBondContact O-SG 3.12Å; Y670-C770 VanDerWaalsContact O-SG 3.42Å; Y670-M794 HydrophobicContact CD1-CE 4.13Å; Y670-M794 HydrophobicContact CD1-SD 4.37Å; Y670-M794 HydrophobicContact CE1-CE 3.9Å; Y670-M794 HydrophobicContact CE1-SD 4.33Å; Y670-T797 WeakPolarHBondContact OH-CB 3.44Å; Y670-S832 PolarHBondContact OH-OG 3.22Å
671	A	94.1	Very high	89.7	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.7	-40.7	173.6	0	0	0	0	0	111.9	C667 T675 T706 L709 I710	C667-A671 WeakPolarHBondContact O-CB 3.35Å; C667-A671 PolarHBondContact O-N 3.28Å; A671-T675 WeakPolarHBondContact O-CB 3.48Å; A671-T675 PolarHBondContact O-N 3.1Å; A671-T675 PolarHBondContact O-OG1 2.98Å; A671-T706 HydrophobicContact CB-CG2 4.08Å; A671-L709 HydrophobicContact CB-CB 3.86Å; A671-L709 HydrophobicContact CB-CD1 4.21Å; A671-I710 HydrophobicContact CB-CG1 3.98Å
672	A	92.1	Very high	89.3	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-66.8	-43.8	174.5	0	0	0	0	0	111.6	V631 L632 I668 S669 T675 K676 T706	V631-A672 HydrophobicContact CB-CB 4.49Å; V631-A672 HydrophobicContact CG1-CB 4.16Å; L632-A672 HydrophobicContact CB-CB 3.91Å; I668-A672 WeakPolarHBondContact O-CB 3.39Å; I668-A672 PolarHBondContact O-N 3.14Å; I668-A672 VanDerWaalsContact O-N 3.15Å; S669-A672 PolarHBondContact O-N 3.19Å; A672-T675 PolarHBondContact O-N 3.25Å; A672-K676 VanDerWaalsContact O-CB 3.25Å; A672-K676 WeakPolarHBondContact O-CB 3.5Å; A672-K676 PolarHBondContact O-N 3.34Å; A672-T706 HydrophobicContact CB-CG2 4.25Å
673	L	90.9	Very high	89	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-41	175.5	-74.7	169.4	0	0	0	112.8	L632 S669 Y670 K676 T677 M794 L840	L632-L673 HydrophobicContact CD1-CD1 4.12Å; L632-L673 HydrophobicContact CD1-CG 3.97Å; L632-L673 HydrophobicContact CD2-CD2 3.64Å; L632-L673 HydrophobicContact CD2-CG 3.92Å; S669-L673 WeakPolarHBondContact O-CG 3.2Å; S669-L673 PolarHBondContact O-N 2.85Å; S669-L673 VanDerWaalsContact O-N 3.1Å; Y670-L673 HydrophobicContact CD1-CD1 4.08Å; Y670-L673 PolarHBondContact O-N 3.37Å; L673-K676 PolarHBondContact O-N 3.46Å; L673-T677 WeakPolarHBondContact O-CB 3.36Å; L673-T677 PolarHBondContact O-N 3.04Å; L673-T677 PolarHBondContact O-OG1 3.26Å; L673-M794 HydrophobicContact CD1-SD 4.18Å; L673-L840 HydrophobicContact CD2-CD1 3.62Å
674	L	91.9	Very high	88.6	Confident	16 Å²	16	21.7 Å²	21.7	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-49.8	176.4	-175.9	51.8	0	0	0	110.4	Y670 K676 T677 N678 L709 L766 T769 C770 Y773	Y670-L674 VanDerWaalsContact O-CB 3.23Å; Y670-L674 WeakPolarHBondContact O-CB 3.36Å; Y670-L674 PolarHBondContact O-N 3.02Å; L674-K676 VanDerWaalsContact C-N 3.3Å; L674-K676 PolarHBondContact O-N 3.37Å; L674-T677 PolarHBondContact O-N 3.3Å; L674-N678 WeakPolarHBondContact O-CB 3.14Å; L674-N678 PolarHBondContact O-N 3.06Å; L674-L709 HydrophobicContact CD2-CD1 4.05Å; L674-L766 HydrophobicContact CD2-CD2 3.86Å; L674-T769 HydrophobicContact CD1-CG2 3.88Å; L674-T769 HydrophobicContact CD2-CG2 4.09Å; L674-C770 VanDerWaalsContact CA-SG 3.55Å; L674-C770 VanDerWaalsContact CB-SG 3.5Å; L674-C770 PolarHBondContact N-SG 3.12Å; L674-Y773 HydrophobicContact CD1-CD2 3.61Å; L674-Y773 HydrophobicContact CD1-CE2 4.06Å; L674-Y773 HydrophobicContact CD1-CG 4.49Å
675	T	90.8	Very high	88	Confident	6 Å²	6	22.9 Å²	22.9	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-41.5	179.2	-57	0	0	0	0	111.3	L628 A671 A672 R679 Q702 I705 T706	L628-T675 HydrophobicContact CD1-CG2 3.96Å; L628-T675 HydrophobicContact CD2-CG2 4.24Å; A671-T675 WeakPolarHBondContact O-CB 3.48Å; A671-T675 PolarHBondContact O-N 3.1Å; A671-T675 PolarHBondContact O-OG1 2.98Å; A672-T675 PolarHBondContact O-N 3.25Å; T675-R679 WeakPolarHBondContact O-CB 3.39Å; T675-R679 PolarHBondContact O-N 3.32Å; T675-Q702 HydrophobicContact CG2-CB 4.02Å; T675-Q702 HydrophobicContact CG2-CG 4.45Å; T675-I705 HydrophobicContact CG2-CB 4.37Å; T675-I705 HydrophobicContact CG2-CG2 4.22Å; T675-T706 WeakPolarHBondContact CB-OG1 3.32Å; T675-T706 PolarHBondContact OG1-OG1 3.24Å; T675-T706 VanDerWaalsContact OG1-OG1 3.04Å
676	K	87.6	Confident	87.1	Confident	7 Å²	7	25.8 Å²	25.8	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-67	-42.2	177.6	-174.6	161.6	176	159.9	0	113.1	S624 L628 A672 L673 L674 R679 I680 E786 I790	S624-K676 WeakPolarHBondContact O-CE 3.32Å; S624-K676 PolarHBondContact O-NZ 2.96Å; S624-K676 PolarHBondContact OG-NZ 3.36Å; L628-K676 HydrophobicContact CD1-CB 4.11Å; A672-K676 VanDerWaalsContact O-CB 3.25Å; A672-K676 WeakPolarHBondContact O-CB 3.5Å; A672-K676 PolarHBondContact O-N 3.34Å; L673-K676 PolarHBondContact O-N 3.46Å; L674-K676 VanDerWaalsContact C-N 3.3Å; L674-K676 PolarHBondContact O-N 3.37Å; K676-R679 WeakPolarHBondContact O-CB 3.41Å; K676-R679 PolarHBondContact O-N 3.23Å; K676-I680 WeakPolarHBondContact O-CG1 3.34Å; K676-I680 PolarHBondContact O-N 3.44Å; K676-E786 WeakPolarHBondContact CE-OE1 3.46Å; K676-E786 WeakPolarHBondContact CE-OE2 3.19Å; K676-E786 IonicContact NZ-OE1 3.13Å; K676-E786 PolarHBondContact NZ-OE1 3.26Å; K676-E786 IonicContact NZ-OE2 3.55Å; K676-I790 HydrophobicContact CD-CD1 4.47Å; K676-I790 HydrophobicContact CG-CD1 4.24Å
677	T	88	Confident	86.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.9	-39.7	178.1	-47.5	0	0	0	0	111.3	L673 L674 I680 Y681 A774 T777 I790	L673-T677 WeakPolarHBondContact O-CB 3.36Å; L673-T677 PolarHBondContact O-N 3.04Å; L673-T677 PolarHBondContact O-OG1 3.26Å; L674-T677 PolarHBondContact O-N 3.3Å; T677-I680 PolarHBondContact O-N 2.94Å; T677-Y681 PolarHBondContact O-N 3.41Å; T677-A774 HydrophobicContact CG2-CB 4.42Å; T677-T777 HydrophobicContact CG2-CG2 4.44Å; T677-I790 HydrophobicContact CG2-CG2 4.38Å; T677-I790 WeakPolarHBondContact OG1-CG2 3.38Å
678	N	87	Confident	85	Confident	39 Å²	39	35.6 Å²	35.6	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-39.8	174.3	-171.4	4.3	0	0	0	111.5	L674 I680 Y681 R682	L674-N678 WeakPolarHBondContact O-CB 3.14Å; L674-N678 PolarHBondContact O-N 3.06Å; N678-I680 VanDerWaalsContact C-N 3.35Å; N678-I680 PolarHBondContact O-N 3.03Å; N678-Y681 PolarHBondContact O-N 3.46Å; N678-R682 WeakPolarHBondContact O-CB 3.38Å; N678-R682 VanDerWaalsContact O-CG 3.29Å; N678-R682 WeakPolarHBondContact O-CG 3.24Å; N678-R682 PolarHBondContact O-N 2.92Å; N678-R682 WeakPolarHBondContact OD1-CD 3.36Å; N678-R682 WeakPolarHBondContact OD1-CG 3.27Å
679	R	85.3	Confident	83.8	Confident	67 Å²	67	42.1 Å²	42.1	25%	0.253	20%	0.203	S	C	.	.	H	α-helix	trans	-54.6	-48.6	170	175.2	-166.6	172.6	-153.8	-8.3	111.4	T675 K676 I683	T675-R679 WeakPolarHBondContact O-CB 3.39Å; T675-R679 PolarHBondContact O-N 3.32Å; K676-R679 WeakPolarHBondContact O-CB 3.41Å; K676-R679 PolarHBondContact O-N 3.23Å; R679-I683 HydrophobicContact CG-CD1 3.97Å; R679-I683 WeakPolarHBondContact O-CD1 3.42Å; R679-I683 VanDerWaalsContact O-CG1 3.27Å; R679-I683 WeakPolarHBondContact O-CG1 3.21Å; R679-I683 PolarHBondContact O-N 3.17Å; R679-I683 VanDerWaalsContact O-N 3.14Å
680	I	83.9	Confident	82.6	Confident	22 Å²	22	44.1 Å²	44.1	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-52.8	177.3	-65.1	168.6	0	0	0	109.9	K676 T677 N678 R682 I683 F684 T777 V780 I790	K676-I680 WeakPolarHBondContact O-CG1 3.34Å; K676-I680 PolarHBondContact O-N 3.44Å; T677-I680 PolarHBondContact O-N 2.94Å; N678-I680 VanDerWaalsContact C-N 3.35Å; N678-I680 PolarHBondContact O-N 3.03Å; I680-R682 VanDerWaalsContact C-N 3.34Å; I680-R682 PolarHBondContact O-N 3.42Å; I680-I683 PolarHBondContact O-N 2.93Å; I680-F684 HydrophobicContact CG2-CD2 3.93Å; I680-F684 HydrophobicContact CG2-CE2 4.08Å; I680-F684 WeakPolarHBondContact O-CD2 3.48Å; I680-F684 PolarHBondContact O-N 3.43Å; I680-F684 VanDerWaalsContact O-N 3.15Å; I680-T777 HydrophobicContact CB-CG2 4.27Å; I680-T777 HydrophobicContact CG2-CG2 3.82Å; I680-V780 HydrophobicContact CG2-CG2 4.2Å; I680-I790 HydrophobicContact CD1-CD1 4.03Å
681	Y	83.4	Confident	81.2	Confident	58 Å²	58	51.2 Å²	51.2	23%	0.227	26%	0.261	C	S	.	.	H	α-helix	trans	-52.4	-48.8	179.1	176.1	-109.6	0	0	0	112.6	T677 N678 I683 F684 E685 Y773 K776 T777	T677-Y681 PolarHBondContact O-N 3.41Å; N678-Y681 PolarHBondContact O-N 3.46Å; Y681-I683 PolarHBondContact O-N 2.95Å; Y681-F684 PolarHBondContact O-N 3.25Å; Y681-E685 HydrophobicContact CE2-CB 4.22Å; Y681-E685 HydrophobicContact CE2-CG 4.43Å; Y681-E685 VanDerWaalsContact O-CB 3.25Å; Y681-E685 WeakPolarHBondContact O-CB 3.46Å; Y681-E685 PolarHBondContact O-N 3.4Å; Y681-Y773 AromaticContact CD1-CD1 3.92Å; Y681-Y773 HydrophobicContact CD1-CD1 3.92Å; Y681-Y773 AromaticContact CD1-CE1 3.68Å; Y681-Y773 HydrophobicContact CD1-CE1 3.68Å; Y681-Y773 HydrophobicContact CE1-CD1 4.49Å; Y681-Y773 AromaticContact CE1-CE1 3.99Å; Y681-Y773 HydrophobicContact CE1-CE1 3.99Å; Y681-Y773 AromaticContact CG-CD1 3.97Å; Y681-Y773 HydrophobicContact CG-CD1 3.97Å; Y681-Y773 HydrophobicContact CG-CE1 4.22Å; Y681-K776 HydrophobicContact CD2-CB 3.99Å; Y681-K776 HydrophobicContact CE2-CB 3.99Å; Y681-K776 HydrophobicContact CE2-CD 4.08Å; Y681-T777 HydrophobicContact CD2-CG2 4.46Å
682	R	81.8	Confident	79.9	Confident	65 Å²	65	55.9 Å²	55.9	25%	0.245	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-33.4	-177.9	-68.5	178.7	69.7	-109.8	-9.6	113.4	N678 I680 Q686 P694 R695 L696	N678-R682 WeakPolarHBondContact O-CB 3.38Å; N678-R682 VanDerWaalsContact O-CG 3.29Å; N678-R682 WeakPolarHBondContact O-CG 3.24Å; N678-R682 PolarHBondContact O-N 2.92Å; N678-R682 WeakPolarHBondContact OD1-CD 3.36Å; N678-R682 WeakPolarHBondContact OD1-CG 3.27Å; I680-R682 VanDerWaalsContact C-N 3.34Å; I680-R682 PolarHBondContact O-N 3.42Å; R682-Q686 VanDerWaalsContact O-CB 3.28Å; R682-Q686 WeakPolarHBondContact O-CB 3.42Å; R682-Q686 PolarHBondContact O-N 2.92Å; R682-Q686 VanDerWaalsContact O-N 3.16Å; R682-P694 WeakPolarHBondContact O-CG 3.43Å; R682-R695 VanDerWaalsContact CZ-O 3.27Å; R682-R695 PolarHBondContact NH1-O 3.38Å; R682-R695 PolarHBondContact NH2-O 3.45Å; R682-L696 PolarHBondContact NH1-O 3Å
683	I	80.4	Confident	78.4	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.297	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-48.3	173.9	-72.6	166.4	0	0	0	110.3	R679 I680 Y681 G687 I697	R679-I683 HydrophobicContact CG-CD1 3.97Å; R679-I683 WeakPolarHBondContact O-CD1 3.42Å; R679-I683 VanDerWaalsContact O-CG1 3.27Å; R679-I683 WeakPolarHBondContact O-CG1 3.21Å; R679-I683 PolarHBondContact O-N 3.17Å; R679-I683 VanDerWaalsContact O-N 3.14Å; I680-I683 PolarHBondContact O-N 2.93Å; Y681-I683 PolarHBondContact O-N 2.95Å; I683-G687 PolarHBondContact O-N 3.39Å; I683-I697 HydrophobicContact CD1-CD1 4.42Å; I683-I697 HydrophobicContact CG1-CD1 3.85Å
684	F	76.9	Confident	77.3	Confident	55 Å²	55	60.1 Å²	60.1	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-75.4	-41	-178	-77	-78.6	0	0	0	113.5	I680 Y681 G687 K688 V780 P781 F784	I680-F684 HydrophobicContact CG2-CD2 3.93Å; I680-F684 HydrophobicContact CG2-CE2 4.08Å; I680-F684 WeakPolarHBondContact O-CD2 3.48Å; I680-F684 PolarHBondContact O-N 3.43Å; I680-F684 VanDerWaalsContact O-N 3.15Å; Y681-F684 PolarHBondContact O-N 3.25Å; F684-G687 PolarHBondContact O-N 3Å; F684-K688 WeakPolarHBondContact O-CG 3.38Å; F684-K688 PolarHBondContact O-N 2.99Å; F684-V780 HydrophobicContact CD1-CG2 4.28Å; F684-V780 HydrophobicContact CD2-CG1 4.34Å; F684-V780 HydrophobicContact CD2-CG2 3.48Å; F684-V780 VanDerWaalsContact CD2-CG2 3.48Å; F684-V780 HydrophobicContact CE1-CG1 4.21Å; F684-V780 HydrophobicContact CE1-CG2 4.39Å; F684-V780 HydrophobicContact CE2-CB 4.27Å; F684-V780 HydrophobicContact CE2-CG1 3.59Å; F684-V780 HydrophobicContact CE2-CG2 3.62Å; F684-V780 HydrophobicContact CG-CG2 3.85Å; F684-V780 HydrophobicContact CZ-CB 4.37Å; F684-V780 HydrophobicContact CZ-CG1 3.52Å; F684-V780 HydrophobicContact CZ-CG2 4.09Å; F684-P781 HydrophobicContact CE1-CG 4.34Å; F684-F784 HydrophobicContact CE1-CD2 4.45Å; F684-F784 HydrophobicContact CE2-CB 4.35Å; F684-F784 HydrophobicContact CE2-CG 4.28Å; F684-F784 HydrophobicContact CZ-CB 4.04Å; F684-F784 HydrophobicContact CZ-CD1 4.43Å; F684-F784 AromaticContact CZ-CD2 3.64Å; F684-F784 HydrophobicContact CZ-CD2 3.64Å; F684-F784 HydrophobicContact CZ-CE2 4.14Å; F684-F784 AromaticContact CZ-CG 3.79Å; F684-F784 HydrophobicContact CZ-CG 3.79Å
685	E	78.3	Confident	76.1	Confident	43 Å²	43	69.9 Å²	69.9	20%	0.201	36%	0.36	C	S	.	.	H	α-helix	trans	-70.6	-33.9	-178.4	-175.7	57.3	-155	0	0	112.6	Y681 K688 K689	Y681-E685 HydrophobicContact CE2-CB 4.22Å; Y681-E685 HydrophobicContact CE2-CG 4.43Å; Y681-E685 VanDerWaalsContact O-CB 3.25Å; Y681-E685 WeakPolarHBondContact O-CB 3.46Å; Y681-E685 PolarHBondContact O-N 3.4Å; E685-K688 WeakPolarHBondContact OE2-CE 3.2Å; E685-K688 IonicContact OE2-NZ 2.68Å; E685-K688 PolarHBondContact OE2-NZ 3.49Å; E685-K689 WeakPolarHBondContact OE1-CE 3.37Å; E685-K689 IonicContact OE1-NZ 3.27Å; E685-K689 PolarHBondContact OE1-NZ 3.07Å
686	Q	72.3	Confident	75.1	Confident	62 Å²	62	74.6 Å²	74.6	29%	0.29	38%	0.384	S	S	.	.	H	α-helix	trans	-75.7	-34.5	169.7	-170.8	165.2	-38.9	0	0	111.7	R682 K688 K689 S690 T692 A693 P694	R682-Q686 VanDerWaalsContact O-CB 3.28Å; R682-Q686 WeakPolarHBondContact O-CB 3.42Å; R682-Q686 PolarHBondContact O-N 2.92Å; R682-Q686 VanDerWaalsContact O-N 3.16Å; Q686-K688 PolarHBondContact O-N 3.23Å; Q686-K689 CarbonylContact O-C 3.58Å; Q686-K689 WeakPolarHBondContact O-CA 3.46Å; Q686-K689 PolarHBondContact O-N 3.21Å; Q686-S690 PolarHBondContact O-N 3.26Å; Q686-T692 PolarHBondContact NE2-O 3.34Å; Q686-A693 PolarHBondContact NE2-O 3.29Å; Q686-P694 HydrophobicContact CB-CG 3.79Å; Q686-P694 HydrophobicContact CG-CG 4.14Å
687	G	68	Low	74.5	Confident	56 Å²	56	76.9 Å²	76.9	58%	0.577	40%	0.396	S	S	*	.	H	α-helix	trans	-60.6	-22.8	175.7	0	0	0	0	0	114.6	I683 F684 K689	I683-G687 PolarHBondContact O-N 3.39Å; F684-G687 PolarHBondContact O-N 3Å; G687-K689 VanDerWaalsContact C-N 3.31Å
688	K	72.1	Confident	74.1	Confident	155 Å²	155	79.6 Å²	79.6	67%	0.674	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-20.3	168.9	-65.8	171.3	-168.2	169.2	0	114	F684 E685 Q686	F684-K688 WeakPolarHBondContact O-CG 3.38Å; F684-K688 PolarHBondContact O-N 2.99Å; E685-K688 WeakPolarHBondContact OE2-CE 3.2Å; E685-K688 IonicContact OE2-NZ 2.68Å; E685-K688 PolarHBondContact OE2-NZ 3.49Å; Q686-K688 PolarHBondContact O-N 3.23Å
689	K	67.8	Low	73.8	Confident	155 Å²	155	81.3 Å²	81.3	67%	0.674	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-24.3	-166.9	-62.2	178.2	-171.9	168.7	0	113.4	E685 Q686 G687	E685-K689 WeakPolarHBondContact OE1-CE 3.37Å; E685-K689 IonicContact OE1-NZ 3.27Å; E685-K689 PolarHBondContact OE1-NZ 3.07Å; Q686-K689 CarbonylContact O-C 3.58Å; Q686-K689 WeakPolarHBondContact O-CA 3.46Å; Q686-K689 PolarHBondContact O-N 3.21Å; G687-K689 VanDerWaalsContact C-N 3.31Å
690	S	68.9	Low	73.6	Confident	51 Å²	51	83.2 Å²	83.2	36%	0.357	45%	0.447	S	S	.	.			trans	-160.5	151.6	178.3	-170.6	0	0	0	0	111.8	Q686 T692	Q686-S690 PolarHBondContact O-N 3.26Å; S690-T692 VanDerWaalsContact C-N 3.28Å; S690-T692 PolarHBondContact OG-N 3.35Å; S690-T692 PolarHBondContact OG-OG1 3.41Å
691	V	63.9	Low	73.7	Confident	156 Å²	156	83.1 Å²	83.1	95%	0.945	45%	0.449	S	S	*	.	S	Bend	trans	-77.8	-16.4	171.8	-170.5	0	0	0	0	111.4
692	T	66.3	Low	73.8	Confident	99 Å²	99	81 Å²	81	61%	0.607	44%	0.441	S	S	*	.	S	Bend	trans	-71.9	133.5	-179.9	-49.7	0	0	0	0	111.3	Q686 S690	Q686-T692 PolarHBondContact NE2-O 3.34Å; S690-T692 VanDerWaalsContact C-N 3.28Å; S690-T692 PolarHBondContact OG-N 3.35Å; S690-T692 PolarHBondContact OG-OG1 3.41Å
693	A	60.9	Low	74.1	Confident	77 Å²	77	81.6 Å²	81.6	64%	0.636	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-63	140.6	-178.6	0	0	0	0	0	112.9	Q686	Q686-A693 PolarHBondContact NE2-O 3.29Å
694	P	67.6	Low	74.5	Confident	16 Å²	16	81.7 Å²	81.7	10%	0.104	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-56.6	141.2	172.2	-24.2	27.9	0	0	0	114.3	R682 Q686 I697	R682-P694 WeakPolarHBondContact O-CG 3.43Å; Q686-P694 HydrophobicContact CB-CG 3.79Å; Q686-P694 HydrophobicContact CG-CG 4.14Å; P694-I697 HydrophobicContact CB-CD1 3.67Å; P694-I697 HydrophobicContact CB-CG1 4.07Å; P694-I697 HydrophobicContact CG-CD1 3.68Å
695	R	67.4	Low	75.1	Confident	221 Å²	221	81.9 Å²	81.9	83%	0.834	46%	0.461	S	S	*	.	S	Bend	trans	-57.2	156.9	160.7	-62.4	-178.4	178.8	-178.8	-1	109.3	R682	R682-R695 VanDerWaalsContact CZ-O 3.27Å; R682-R695 PolarHBondContact NH1-O 3.38Å; R682-R695 PolarHBondContact NH2-O 3.45Å
696	L	69.1	Low	75.7	Confident	105 Å²	105	79.8 Å²	79.8	55%	0.55	45%	0.451	S	S	.	.	S	Bend	trans	59.1	48.5	180	-54.6	163.2	0	0	0	113.8	R682	R682-L696 PolarHBondContact NH1-O 3Å
697	I	75.6	Confident	76.6	Confident	55 Å²	55	79.9 Å²	79.9	28%	0.282	46%	0.458	S	S	.	.			trans	-105.4	-16.5	168.4	-75.4	179.6	0	0	0	112.4	I683 P694 Q702	I683-I697 HydrophobicContact CD1-CD1 4.42Å; I683-I697 HydrophobicContact CG1-CD1 3.85Å; P694-I697 HydrophobicContact CB-CD1 3.67Å; P694-I697 HydrophobicContact CB-CG1 4.07Å; P694-I697 HydrophobicContact CG-CD1 3.68Å; I697-Q702 PolarHBondContact O-NE2 3.34Å
698	S	79.9	Confident	77.8	Confident	56 Å²	56	80.8 Å²	80.8	39%	0.392	46%	0.456	S	S	.	.	S	Bend	trans	-57	140.2	179.6	-179.4	0	0	0	0	111.8	T700 S701 Q702	S698-T700 PolarHBondContact O-N 3.25Å; S698-T700 PolarHBondContact OG-N 3.14Å; S698-T700 PolarHBondContact OG-OG1 3.03Å; S698-S701 PolarHBondContact N-OG 3.48Å; S698-S701 VanDerWaalsContact N-OG 3.16Å; S698-S701 PolarHBondContact O-N 2.9Å; S698-S701 PolarHBondContact O-OG 3.31Å; S698-Q702 PolarHBondContact O-N 3.4Å
699	P	79.1	Confident	78.8	Confident	75 Å²	75	75.2 Å²	75.2	49%	0.487	43%	0.434	S	S	.	.	H	α-helix	trans	-51.2	-38.7	171.6	-27	35.5	0	0	0	112.9	E627 S701 Q702 L703	E627-P699 HydrophobicContact CG-CB 4.32Å; P699-S701 PolarHBondContact O-N 3.31Å; P699-Q702 PolarHBondContact O-N 3.06Å; P699-L703 PolarHBondContact O-N 2.9Å
700	T	82.5	Confident	80.1	Confident	108 Å²	108	69 Å²	69	66%	0.663	41%	0.408	S	S	*	.	H	α-helix	trans	-60.7	-44.1	175.5	54.5	0	0	0	0	112.2	S698 Q702 L703 A704	S698-T700 PolarHBondContact O-N 3.25Å; S698-T700 PolarHBondContact OG-N 3.14Å; S698-T700 PolarHBondContact OG-OG1 3.03Å; T700-Q702 VanDerWaalsContact C-N 3.35Å; T700-Q702 PolarHBondContact O-N 3.31Å; T700-L703 PolarHBondContact O-N 3.2Å; T700-A704 WeakPolarHBondContact O-CB 3.28Å; T700-A704 PolarHBondContact O-N 3Å
701	S	84.7	Confident	81.2	Confident	20 Å²	20	69.6 Å²	69.6	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-69.7	-28.9	175.7	58	0	0	0	0	113.6	S698 P699 I705	S698-S701 PolarHBondContact N-OG 3.48Å; S698-S701 VanDerWaalsContact N-OG 3.16Å; S698-S701 PolarHBondContact O-N 2.9Å; S698-S701 PolarHBondContact O-OG 3.31Å; P699-S701 PolarHBondContact O-N 3.31Å; S701-I705 WeakPolarHBondContact O-CD1 3.37Å; S701-I705 VanDerWaalsContact O-CG1 3.26Å; S701-I705 WeakPolarHBondContact O-CG1 3.49Å; S701-I705 PolarHBondContact O-N 3.16Å; S701-I705 VanDerWaalsContact O-N 3.16Å
702	Q	85.9	Confident	82.6	Confident	13 Å²	13	65.7 Å²	65.7	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-70.4	-44.9	173.8	-67.1	173.9	43.5	0	0	111	L628 T675 I697 S698 P699 T700 A704 I705 T706	L628-Q702 HydrophobicContact CD1-CB 4.19Å; L628-Q702 VanDerWaalsContact CD1-OE1 3.25Å; L628-Q702 HydrophobicContact CD2-CB 4.29Å; L628-Q702 HydrophobicContact CG-CB 4.36Å; T675-Q702 HydrophobicContact CG2-CB 4.02Å; T675-Q702 HydrophobicContact CG2-CG 4.45Å; I697-Q702 PolarHBondContact O-NE2 3.34Å; S698-Q702 PolarHBondContact O-N 3.4Å; P699-Q702 PolarHBondContact O-N 3.06Å; T700-Q702 VanDerWaalsContact C-N 3.35Å; T700-Q702 PolarHBondContact O-N 3.31Å; Q702-A704 VanDerWaalsContact C-N 3.34Å; Q702-A704 PolarHBondContact O-N 3.37Å; Q702-I705 PolarHBondContact O-N 2.85Å; Q702-T706 PolarHBondContact O-N 3.48Å; Q702-T706 PolarHBondContact O-OG1 2.84Å
703	L	88.5	Confident	83.8	Confident	77 Å²	77	61.7 Å²	61.7	40%	0.403	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-39.8	176.8	-172.8	62.3	0	0	0	111.4	V631 P699 T700 T706 S707	V631-L703 HydrophobicContact CG2-CD1 3.93Å; P699-L703 PolarHBondContact O-N 2.9Å; T700-L703 PolarHBondContact O-N 3.2Å; L703-T706 PolarHBondContact O-N 2.94Å; L703-S707 VanDerWaalsContact O-CB 3.27Å; L703-S707 WeakPolarHBondContact O-CB 3.43Å; L703-S707 PolarHBondContact O-N 2.95Å
704	A	89.3	Confident	85.2	Confident	61 Å²	61	60.6 Å²	60.6	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-41.9	174.4	0	0	0	0	0	113.1	T700 Q702 S708	T700-A704 WeakPolarHBondContact O-CB 3.28Å; T700-A704 PolarHBondContact O-N 3Å; Q702-A704 VanDerWaalsContact C-N 3.34Å; Q702-A704 PolarHBondContact O-N 3.37Å; A704-S708 WeakPolarHBondContact O-CB 3.46Å; A704-S708 PolarHBondContact O-N 3.2Å
705	I	89.1	Confident	86.4	Confident	58 Å²	58	64.9 Å²	64.9	30%	0.297	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-44.3	174.7	-69.5	164	0	0	0	110.8	T675 S701 Q702 S708 L709	T675-I705 HydrophobicContact CG2-CB 4.37Å; T675-I705 HydrophobicContact CG2-CG2 4.22Å; S701-I705 WeakPolarHBondContact O-CD1 3.37Å; S701-I705 VanDerWaalsContact O-CG1 3.26Å; S701-I705 WeakPolarHBondContact O-CG1 3.49Å; S701-I705 PolarHBondContact O-N 3.16Å; S701-I705 VanDerWaalsContact O-N 3.16Å; Q702-I705 PolarHBondContact O-N 2.85Å; I705-S708 PolarHBondContact O-N 3.41Å; I705-L709 HydrophobicContact CG2-CD1 4.48Å; I705-L709 WeakPolarHBondContact O-CG 3.21Å; I705-L709 PolarHBondContact O-N 2.95Å; I705-L709 VanDerWaalsContact O-N 3.17Å
706	T	91.4	Very high	87.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-44.6	179.2	-52.6	0	0	0	0	111.3	L628 V631 A671 A672 T675 Q702 L703 L709 I710	L628-T706 VanDerWaalsContact CD2-OG1 3.24Å; L628-T706 WeakPolarHBondContact CD2-OG1 3.4Å; V631-T706 HydrophobicContact CG1-CG2 4.02Å; A671-T706 HydrophobicContact CB-CG2 4.08Å; A672-T706 HydrophobicContact CB-CG2 4.25Å; T675-T706 WeakPolarHBondContact CB-OG1 3.32Å; T675-T706 PolarHBondContact OG1-OG1 3.24Å; T675-T706 VanDerWaalsContact OG1-OG1 3.04Å; Q702-T706 PolarHBondContact O-N 3.48Å; Q702-T706 PolarHBondContact O-OG1 2.84Å; L703-T706 PolarHBondContact O-N 2.94Å; T706-L709 PolarHBondContact O-N 3.44Å; T706-I710 HydrophobicContact CG2-CD1 3.93Å; T706-I710 WeakPolarHBondContact O-CD1 3.37Å; T706-I710 WeakPolarHBondContact O-CG1 3.47Å; T706-I710 PolarHBondContact O-N 3.39Å; T706-I710 VanDerWaalsContact O-N 3.08Å
707	S	91.1	Very high	88.3	Confident	63 Å²	63	51.6 Å²	51.6	44%	0.441	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-43.1	176.3	-172.9	0	0	0	0	111.8	L703 L709 I710 S711	L703-S707 VanDerWaalsContact O-CB 3.27Å; L703-S707 WeakPolarHBondContact O-CB 3.43Å; L703-S707 PolarHBondContact O-N 2.95Å; S707-L709 VanDerWaalsContact C-N 3.35Å; S707-L709 PolarHBondContact O-N 2.91Å; S707-I710 PolarHBondContact O-N 2.93Å; S707-I710 VanDerWaalsContact O-N 3.17Å; S707-S711 PolarHBondContact O-N 3Å; S707-S711 PolarHBondContact O-OG 3.22Å; S707-S711 VanDerWaalsContact O-OG 3.09Å
708	S	92.6	Very high	89	Confident	76 Å²	76	55.7 Å²	55.7	53%	0.531	34%	0.339	S	S	.	.	H	α-helix	trans	-58.2	-43.5	176	-176	0	0	0	0	112.6	A704 I705 S711 V712	A704-S708 WeakPolarHBondContact O-CB 3.46Å; A704-S708 PolarHBondContact O-N 3.2Å; I705-S708 PolarHBondContact O-N 3.41Å; S708-S711 PolarHBondContact O-N 2.82Å; S708-V712 PolarHBondContact O-N 3.2Å
709	L	93.3	Very high	89.5	Confident	38 Å²	38	57.8 Å²	57.8	20%	0.199	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-40.4	175.2	-66.6	170.8	0	0	0	112.5	A671 L674 I705 T706 S707 V712 Y762 L766	A671-L709 HydrophobicContact CB-CB 3.86Å; A671-L709 HydrophobicContact CB-CD1 4.21Å; L674-L709 HydrophobicContact CD2-CD1 4.05Å; I705-L709 HydrophobicContact CG2-CD1 4.48Å; I705-L709 WeakPolarHBondContact O-CG 3.21Å; I705-L709 PolarHBondContact O-N 2.95Å; I705-L709 VanDerWaalsContact O-N 3.17Å; T706-L709 PolarHBondContact O-N 3.44Å; S707-L709 VanDerWaalsContact C-N 3.35Å; S707-L709 PolarHBondContact O-N 2.91Å; L709-V712 PolarHBondContact O-N 3.02Å; L709-Y762 PolarHBondContact O-OH 3.25Å; L709-L766 HydrophobicContact CD2-CD2 4.31Å
710	I	94.3	Very high	89.8	Confident	25 Å²	25	56.2 Å²	56.2	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-38.7	177.1	-66.5	161	0	0	0	111.1	V631 L664 I668 A671 T706 S707 V712 Q713 L714	V631-I710 HydrophobicContact CG1-CD1 4.42Å; L664-I710 HydrophobicContact CD1-CG2 4.03Å; I668-I710 HydrophobicContact CB-CD1 4.34Å; I668-I710 HydrophobicContact CG1-CD1 3.92Å; I668-I710 HydrophobicContact CG1-CG1 4.04Å; I668-I710 HydrophobicContact CG1-CG2 4.14Å; I668-I710 HydrophobicContact CG2-CD1 4.35Å; A671-I710 HydrophobicContact CB-CG1 3.98Å; T706-I710 HydrophobicContact CG2-CD1 3.93Å; T706-I710 WeakPolarHBondContact O-CD1 3.37Å; T706-I710 WeakPolarHBondContact O-CG1 3.47Å; T706-I710 PolarHBondContact O-N 3.39Å; T706-I710 VanDerWaalsContact O-N 3.08Å; S707-I710 PolarHBondContact O-N 2.93Å; S707-I710 VanDerWaalsContact O-N 3.17Å; I710-V712 PolarHBondContact O-N 3.17Å; I710-Q713 PolarHBondContact O-N 3.16Å; I710-Q713 VanDerWaalsContact O-N 3.14Å; I710-L714 HydrophobicContact CG2-CD1 3.99Å; I710-L714 HydrophobicContact CG2-CG 4.32Å; I710-L714 PolarHBondContact O-N 3.21Å; I710-L714 VanDerWaalsContact O-N 3.08Å
711	S	92.6	Very high	90.1	Very high	62 Å²	62	53.5 Å²	53.5	43%	0.434	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-28.2	177.6	-67.1	0	0	0	0	113.5	S707 S708 L714 L715	S707-S711 PolarHBondContact O-N 3Å; S707-S711 PolarHBondContact O-OG 3.22Å; S707-S711 VanDerWaalsContact O-OG 3.09Å; S708-S711 PolarHBondContact O-N 2.82Å; S711-L714 PolarHBondContact O-N 2.99Å; S711-L715 VanDerWaalsContact O-CB 3.29Å; S711-L715 WeakPolarHBondContact O-CB 3.47Å; S711-L715 PolarHBondContact O-N 2.91Å
712	V	92.7	Very high	90.2	Very high	74 Å²	74	56 Å²	56	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-45.2	174.7	177.2	0	0	0	0	111.2	S708 L709 I710 G716 Y762	S708-V712 PolarHBondContact O-N 3.2Å; L709-V712 PolarHBondContact O-N 3.02Å; I710-V712 PolarHBondContact O-N 3.17Å; V712-G716 PolarHBondContact O-N 2.98Å; V712-G716 VanDerWaalsContact O-N 3.09Å; V712-Y762 HydrophobicContact CB-CE1 4.16Å; V712-Y762 HydrophobicContact CB-CE2 4.45Å; V712-Y762 HydrophobicContact CG1-CD2 4.37Å; V712-Y762 HydrophobicContact CG1-CE1 4.22Å; V712-Y762 HydrophobicContact CG1-CE2 3.86Å
713	Q	92.1	Very high	90.3	Very high	15 Å²	15	61.1 Å²	61.1	7%	0.07	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-43.8	175.6	-177.6	74.1	34.5	0	0	111.2	C667 I710 G716 V717 S759 Y762	C667-Q713 HydrophobicContact CB-CB 4.07Å; C667-Q713 HydrophobicContact CB-CG 3.97Å; C667-Q713 VanDerWaalsContact SG-CB 3.54Å; I710-Q713 PolarHBondContact O-N 3.16Å; I710-Q713 VanDerWaalsContact O-N 3.14Å; Q713-G716 PolarHBondContact O-N 3.38Å; Q713-V717 WeakPolarHBondContact O-CG2 3.28Å; Q713-V717 PolarHBondContact O-N 3.37Å; Q713-S759 PolarHBondContact NE2-O 3.39Å; Q713-S759 VanDerWaalsContact NE2-O 3.11Å; Q713-Y762 HydrophobicContact CB-CD1 4.09Å; Q713-Y762 HydrophobicContact CB-CE1 4.35Å
714	L	90.9	Very high	90.1	Very high	54 Å²	54	59.1 Å²	59.1	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-45	179.1	-71.1	173.2	0	0	0	111.8	L664 I710 S711 G716 V717 F718	L664-L714 HydrophobicContact CD1-CD2 3.7Å; L664-L714 HydrophobicContact CD1-CG 4.03Å; L664-L714 HydrophobicContact CD2-CD2 3.86Å; L664-L714 HydrophobicContact CG-CD2 4.41Å; I710-L714 HydrophobicContact CG2-CD1 3.99Å; I710-L714 HydrophobicContact CG2-CG 4.32Å; I710-L714 PolarHBondContact O-N 3.21Å; I710-L714 VanDerWaalsContact O-N 3.08Å; S711-L714 PolarHBondContact O-N 2.99Å; L714-G716 VanDerWaalsContact C-N 3.33Å; L714-G716 PolarHBondContact O-N 3.43Å; L714-V717 PolarHBondContact O-N 3.19Å; L714-F718 HydrophobicContact CB-CD2 4.48Å; L714-F718 HydrophobicContact CB-CE2 4.32Å; L714-F718 WeakPolarHBondContact O-CD2 3.49Å; L714-F718 PolarHBondContact O-N 3.39Å
715	L	91.6	Very high	90	Very high	107 Å²	107	59.7 Å²	59.7	56%	0.56	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-42.6	175.7	-180	61.1	0	0	0	111.7	S711 V717 F718 I719	S711-L715 VanDerWaalsContact O-CB 3.29Å; S711-L715 WeakPolarHBondContact O-CB 3.47Å; S711-L715 PolarHBondContact O-N 2.91Å; L715-V717 PolarHBondContact O-N 3.01Å; L715-F718 PolarHBondContact O-N 3.29Å; L715-I719 HydrophobicContact CD1-CD1 4.05Å; L715-I719 HydrophobicContact CD1-CG1 4.28Å; L715-I719 HydrophobicContact CG-CD1 3.93Å; L715-I719 VanDerWaalsContact O-CG1 3.31Å; L715-I719 WeakPolarHBondContact O-CG1 3.28Å; L715-I719 PolarHBondContact O-N 3.34Å
716	G	89.2	Confident	89.9	Confident	40 Å²	40	57.9 Å²	57.9	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-58.9	-44.5	174.1	0	0	0	0	0	112.8	V712 Q713 L714 W720	V712-G716 PolarHBondContact O-N 2.98Å; V712-G716 VanDerWaalsContact O-N 3.09Å; Q713-G716 PolarHBondContact O-N 3.38Å; L714-G716 VanDerWaalsContact C-N 3.33Å; L714-G716 PolarHBondContact O-N 3.43Å; G716-W720 WeakPolarHBondContact O-CB 3.36Å; G716-W720 PolarHBondContact O-N 3.3Å
717	V	88.6	Confident	89.7	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-42.4	176.2	170	0	0	0	0	111.8	V660 Q713 L714 L715 W720 F721	V660-V717 HydrophobicContact CG2-CG1 4.09Å; Q713-V717 WeakPolarHBondContact O-CG2 3.28Å; Q713-V717 PolarHBondContact O-N 3.37Å; L714-V717 PolarHBondContact O-N 3.19Å; L715-V717 PolarHBondContact O-N 3.01Å; V717-W720 PolarHBondContact O-N 3.41Å; V717-F721 HydrophobicContact CG1-CD2 3.87Å; V717-F721 HydrophobicContact CG1-CE2 3.6Å; V717-F721 VanDerWaalsContact O-CD2 3.27Å; V717-F721 WeakPolarHBondContact O-CD2 3.33Å; V717-F721 PolarHBondContact O-N 3.27Å
718	F	89.2	Confident	89.6	Confident	140 Å²	140	61.9 Å²	61.9	61%	0.614	37%	0.365	S	S	*	.	H	α-helix	trans	-66.2	-42	177.7	-75	-58.8	0	0	0	113.2	L714 L715 W720 F721 G722	L714-F718 HydrophobicContact CB-CD2 4.48Å; L714-F718 HydrophobicContact CB-CE2 4.32Å; L714-F718 WeakPolarHBondContact O-CD2 3.49Å; L714-F718 PolarHBondContact O-N 3.39Å; L715-F718 PolarHBondContact O-N 3.29Å; F718-W720 VanDerWaalsContact C-N 3.28Å; F718-W720 PolarHBondContact O-N 2.8Å; F718-F721 PolarHBondContact O-N 3.09Å; F718-G722 PolarHBondContact O-N 3.17Å
719	I	89.9	Confident	89.4	Confident	100 Å²	100	61.3 Å²	61.3	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-44.1	172.8	-69.5	166.1	0	0	0	109.9	L715 F721 G722 V723	L715-I719 HydrophobicContact CD1-CD1 4.05Å; L715-I719 HydrophobicContact CD1-CG1 4.28Å; L715-I719 HydrophobicContact CG-CD1 3.93Å; L715-I719 VanDerWaalsContact O-CG1 3.31Å; L715-I719 WeakPolarHBondContact O-CG1 3.28Å; L715-I719 PolarHBondContact O-N 3.34Å; I719-F721 VanDerWaalsContact C-N 3.33Å; I719-F721 PolarHBondContact O-N 2.66Å; I719-G722 PolarHBondContact O-N 2.71Å; I719-V723 HydrophobicContact CG2-CG2 4.35Å; I719-V723 WeakPolarHBondContact O-CG2 3.33Å; I719-V723 PolarHBondContact O-N 3.03Å
720	W	87	Confident	89	Confident	42 Å²	42	62.8 Å²	62.8	16%	0.159	36%	0.362	C	S	.	.	H	α-helix	trans	-70.9	-24.6	-176.4	-172	24.5	0	0	0	113.6	R659 G716 V717 F718 D724 I751 Q755	R659-W720 HydrophobicContact CG-CE3 4.07Å; R659-W720 HydrophobicContact CG-CH2 3.95Å; R659-W720 HydrophobicContact CG-CZ2 4.38Å; R659-W720 HydrophobicContact CG-CZ3 3.79Å; R659-W720 VanDerWaalsContact NH2-CE2 3.31Å; R659-W720 PolarHBondContact NH2-O 3.04Å; R659-W720 VanDerWaalsContact NH2-O 3.09Å; G716-W720 WeakPolarHBondContact O-CB 3.36Å; G716-W720 PolarHBondContact O-N 3.3Å; V717-W720 PolarHBondContact O-N 3.41Å; F718-W720 VanDerWaalsContact C-N 3.28Å; F718-W720 PolarHBondContact O-N 2.8Å; W720-D724 PolarHBondContact O-N 2.77Å; W720-D724 VanDerWaalsContact O-O 3.11Å; W720-I751 HydrophobicContact CH2-CD1 3.99Å; W720-I751 HydrophobicContact CZ2-CD1 4.29Å; W720-I751 HydrophobicContact CZ2-CG1 4.39Å; W720-Q755 HydrophobicContact CH2-CB 4.24Å; W720-Q755 HydrophobicContact CZ2-CB 3.6Å; W720-Q755 HydrophobicContact CZ2-CG 3.76Å
721	F	87.8	Confident	88.4	Confident	52 Å²	52	63.2 Å²	63.2	23%	0.228	37%	0.365	C	S	.	.	H	α-helix	trans	-69.7	-34.3	165.5	-84.2	-60.6	0	0	0	113.3	R659 V660 V717 F718 I719 P726	R659-F721 HydrophobicContact CB-CE1 4.41Å; R659-F721 HydrophobicContact CB-CZ 4.23Å; V660-F721 HydrophobicContact CG2-CE2 3.64Å; V660-F721 HydrophobicContact CG2-CZ 3.76Å; V717-F721 HydrophobicContact CG1-CD2 3.87Å; V717-F721 HydrophobicContact CG1-CE2 3.6Å; V717-F721 VanDerWaalsContact O-CD2 3.27Å; V717-F721 WeakPolarHBondContact O-CD2 3.33Å; V717-F721 PolarHBondContact O-N 3.27Å; F718-F721 PolarHBondContact O-N 3.09Å; I719-F721 VanDerWaalsContact C-N 3.33Å; I719-F721 PolarHBondContact O-N 2.66Å; F721-P726 HydrophobicContact CD1-CG 4.19Å; F721-P726 HydrophobicContact CE1-CB 4.38Å; F721-P726 HydrophobicContact CE1-CG 3.9Å
722	G	86.3	Confident	87.7	Confident	73 Å²	73	61.9 Å²	61.9	75%	0.753	35%	0.351	S	S	*	.	H	α-helix	trans	-78.3	-27.4	-179.7	0	0	0	0	0	114	F718 I719	F718-G722 PolarHBondContact O-N 3.17Å; I719-G722 PolarHBondContact O-N 2.71Å
723	V	88.3	Confident	86.6	Confident	120 Å²	120	64.4 Å²	64.4	73%	0.727	36%	0.362	S	S	*	.	H	α-helix	trans	-81.6	-34.1	175.6	173.2	0	0	0	0	112.1	I719	I719-V723 HydrophobicContact CG2-CG2 4.35Å; I719-V723 WeakPolarHBondContact O-CG2 3.33Å; I719-V723 PolarHBondContact O-N 3.03Å
724	D	85.1	Confident	85.3	Confident	34 Å²	34	67.1 Å²	67.1	18%	0.182	38%	0.375	C	S	.	.	S	Bend	trans	-150.8	98.8	-165.8	172.3	35.5	0	0	0	110	R659 W720 Q755	R659-D724 IonicContact CZ-OD2 3.52Å; R659-D724 PolarHBondContact NH1-O 3.22Å; R659-D724 IonicContact NH1-OD2 3.42Å; R659-D724 VanDerWaalsContact NH2-CG 3.26Å; R659-D724 PolarHBondContact NH2-O 2.69Å; R659-D724 IonicContact NH2-OD2 2.74Å; R659-D724 PolarHBondContact NH2-OD2 2.76Å; W720-D724 PolarHBondContact O-N 2.77Å; W720-D724 VanDerWaalsContact O-O 3.11Å; D724-Q755 PolarHBondContact OD2-NE2 2.74Å
725	P	87.4	Confident	84.2	Confident	73 Å²	73	66.9 Å²	66.9	47%	0.474	37%	0.372	S	S	.	.			trans	-74.5	147.5	-174.3	28.9	-33.7	0	0	0	112.6	N727	P725-N727 PolarHBondContact O-N 3.29Å; P725-N727 VanDerWaalsContact O-N 3.1Å; P725-N727 PolarHBondContact O-ND2 2.98Å
726	P	86.6	Confident	83.2	Confident	20 Å²	20	64.7 Å²	64.7	13%	0.13	36%	0.358	C	S	.	.			trans	-76.5	99.4	-173.3	32.3	-36.5	0	0	0	112	S656 F721	S656-P726 WeakPolarHBondContact OG-CG 3.44Å; F721-P726 HydrophobicContact CD1-CG 4.19Å; F721-P726 HydrophobicContact CE1-CB 4.38Å; F721-P726 HydrophobicContact CE1-CG 3.9Å
727	N	87.6	Confident	82.5	Confident	74 Å²	74	65.4 Å²	65.4	40%	0.396	35%	0.354	S	S	.	.			trans	-100.5	173.7	176.9	-67.1	-58.9	0	0	0	112.9	P725 D750	P725-N727 PolarHBondContact O-N 3.29Å; P725-N727 VanDerWaalsContact O-N 3.1Å; P725-N727 PolarHBondContact O-ND2 2.98Å; N727-D750 HydrophobicContact CB-CB 3.89Å; N727-D750 PolarHBondContact O-N 3.24Å
728	I	89.4	Confident	81.8	Confident	73 Å²	73	73.5 Å²	73.5	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.1	165	55.4	173.7	0	0	0	108.9	P650 L747	P650-I728 HydrophobicContact CB-CG2 4.28Å; I728-L747 HydrophobicContact CB-CD1 4.49Å
729	I	87.4	Confident	81.2	Confident	64 Å²	64	71.2 Å²	71.2	33%	0.328	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.1	177.8	55.7	172.5	0	0	0	110.2	K748 D750	I729-K748 HydrophobicContact CD1-CG 4.28Å; I729-K748 HydrophobicContact CG1-CG 3.95Å; I729-K748 PolarHBondContact N-O 2.97Å; I729-K748 PolarHBondContact O-N 3.26Å; I729-K748 VanDerWaalsContact O-O 3.09Å; I729-D750 HydrophobicContact CG2-CB 4.17Å
730	I	84.6	Confident	80.7	Confident	69 Å²	69	67.1 Å²	67.1	35%	0.354	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.1	168.4	-56.3	158.9	0	0	0	106	I581 Y732 V746 L747	I581-I730 HydrophobicContact CD1-CD1 3.65Å; I581-I730 HydrophobicContact CD1-CG1 4.3Å; I581-I730 HydrophobicContact CD1-CG2 4.43Å; I581-I730 HydrophobicContact CG1-CG2 4.24Å; I581-I730 HydrophobicContact CG2-CG2 4.49Å; I730-Y732 HydrophobicContact CB-CE2 4.25Å; I730-Y732 HydrophobicContact CG2-CD1 4.34Å; I730-Y732 HydrophobicContact CG2-CD2 4.33Å; I730-Y732 HydrophobicContact CG2-CE1 3.76Å; I730-Y732 HydrophobicContact CG2-CE2 3.79Å; I730-Y732 VanDerWaalsContact CG2-CZ 3.47Å; I730-V746 WeakPolarHBondContact CA-O 3.1Å; I730-L747 HydrophobicContact CG1-CD1 4.05Å
731	D	81.1	Confident	80.3	Confident	35 Å²	35	72.2 Å²	72.2	19%	0.187	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.1	177.5	-175.1	-28.4	0	0	0	109.1	D733 E734 G745 V746 K748	D731-D733 PolarHBondContact OD1-N 2.71Å; D731-E734 PolarHBondContact OD1-N 3.44Å; D731-E734 VanDerWaalsContact OD1-N 3.16Å; D731-G745 CarbonylContact O-C 3.09Å; D731-G745 WeakPolarHBondContact O-CA 3.22Å; D731-V746 PolarHBondContact N-O 3.11Å; D731-V746 PolarHBondContact O-N 3.15Å; D731-K748 VanDerWaalsContact CB-CE 3.5Å; D731-K748 VanDerWaalsContact OD2-CE 3.3Å; D731-K748 WeakPolarHBondContact OD2-CE 3.37Å; D731-K748 IonicContact OD2-NZ 3.93Å; D731-K748 PolarHBondContact OD2-NZ 3.34Å
732	Y	78	Confident	79.9	Confident	34 Å²	34	75.2 Å²	75.2	13%	0.133	41%	0.408	C	S	.	.			trans	-100.6	-20	176.1	-61.6	-76.5	0	0	0	112.1	Y565 D566 I579 I730 E734 H735 K736 G745	Y565-Y732 HydrophobicContact CD1-CD2 4.47Å; Y565-Y732 AromaticContact CE1-CD2 3.93Å; Y565-Y732 HydrophobicContact CE1-CD2 3.93Å; Y565-Y732 HydrophobicContact CE1-CG 4.26Å; D566-Y732 HydrophobicContact CB-CE2 4.1Å; I579-Y732 HydrophobicContact CB-CD1 4.17Å; I579-Y732 HydrophobicContact CB-CE1 3.87Å; I579-Y732 HydrophobicContact CD1-CD1 4.25Å; I579-Y732 HydrophobicContact CG2-CD1 3.94Å; I579-Y732 HydrophobicContact CG2-CE1 3.97Å; I730-Y732 HydrophobicContact CB-CE2 4.25Å; I730-Y732 HydrophobicContact CG2-CD1 4.34Å; I730-Y732 HydrophobicContact CG2-CD2 4.33Å; I730-Y732 HydrophobicContact CG2-CE1 3.76Å; I730-Y732 HydrophobicContact CG2-CE2 3.79Å; I730-Y732 VanDerWaalsContact CG2-CZ 3.47Å; Y732-E734 PolarHBondContact O-N 3Å; Y732-H735 PolarHBondContact O-N 2.94Å; Y732-K736 WeakPolarHBondContact O-CB 3.43Å; Y732-K736 PolarHBondContact O-N 3.37Å; Y732-G745 VanDerWaalsContact CD1-CA 3.44Å
733	D	69.6	Low	79.7	Confident	127 Å²	127	71.7 Å²	71.7	68%	0.679	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-31.1	-175.3	-71.6	-51.2	0	0	0	112.2	Y565 D731 H735	Y565-D733 PolarHBondContact OH-OD1 3.1Å; Y565-D733 PolarHBondContact OH-OD2 2.99Å; D731-D733 PolarHBondContact OD1-N 2.71Å; D733-H735 VanDerWaalsContact C-N 3.29Å; D733-H735 PolarHBondContact O-N 3.32Å
734	E	65.4	Low	79.4	Confident	72 Å²	72	69.8 Å²	69.8	34%	0.336	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.7	175.8	-74.4	179.3	164.5	0	0	113.7	D731 Y732 K748 K817	D731-E734 PolarHBondContact OD1-N 3.44Å; D731-E734 VanDerWaalsContact OD1-N 3.16Å; Y732-E734 PolarHBondContact O-N 3Å; E734-K748 IonicContact OE1-NZ 3.08Å; E734-K748 PolarHBondContact OE1-NZ 3.35Å; E734-K748 IonicContact OE2-NZ 3.7Å; E734-K748 PolarHBondContact OE2-NZ 3.29Å; E734-K817 IonicContact OE1-NZ 2.66Å
735	H	68.1	Low	79.3	Confident	48 Å²	48	68.2 Å²	68.2	22%	0.222	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	14.8	-171.9	-67.6	93.4	0	0	0	116.5	Y732 D733 T737 R744 V746 A815	Y732-H735 PolarHBondContact O-N 2.94Å; D733-H735 VanDerWaalsContact C-N 3.29Å; D733-H735 PolarHBondContact O-N 3.32Å; H735-T737 PolarHBondContact O-N 2.93Å; H735-T737 VanDerWaalsContact O-N 3.08Å; H735-R744 HydrophobicContact CB-CB 4.13Å; H735-R744 WeakPolarHBondContact CB-O 3.42Å; H735-R744 PolarHBondContact O-N 3.05Å; H735-V746 WeakPolarHBondContact ND1-CG2 3.4Å; H735-A815 PolarHBondContact CE1-O 3.21Å; H735-A815 PolarHBondContact NE2-O 3.48Å
736	K	70	Confident	79.3	Confident	61 Å²	61	64.8 Å²	64.8	27%	0.265	32%	0.321	S	S	.	.			trans	-82.5	78.5	174.3	-170.4	169	-176.8	168.1	0	112.2	Y551 Y565 Y732	Y551-K736 HydrophobicContact CE1-CG 4.27Å; Y551-K736 VanDerWaalsContact OH-CG 3.32Å; Y551-K736 WeakPolarHBondContact OH-CG 3.32Å; Y565-K736 VanDerWaalsContact CD2-NZ 3.33Å; Y565-K736 HydrophobicContact CE2-CD 4.19Å; Y565-K736 PolarHBondContact O-NZ 2.92Å; Y732-K736 WeakPolarHBondContact O-CB 3.43Å; Y732-K736 PolarHBondContact O-N 3.37Å
737	T	74.3	Confident	79.3	Confident	55 Å²	55	64.9 Å²	64.9	34%	0.337	32%	0.321	S	S	.	.			trans	-62.3	156.7	177.2	46.8	0	0	0	0	113.6	Y551 H735 N739 Q742 A743	Y551-T737 WeakPolarHBondContact CE2-O 3.49Å; Y551-T737 PolarHBondContact OH-O 3.17Å; H735-T737 PolarHBondContact O-N 2.93Å; H735-T737 VanDerWaalsContact O-N 3.08Å; T737-N739 PolarHBondContact O-N 3.06Å; T737-N739 PolarHBondContact OG1-O 2.98Å; T737-Q742 HydrophobicContact CG2-CB 4.43Å; T737-Q742 VanDerWaalsContact OG1-C 3.3Å; T737-Q742 WeakPolarHBondContact OG1-CB 3.29Å; T737-A743 PolarHBondContact OG1-N 2.82Å
738	M	73.9	Confident	79.2	Confident	177 Å²	177	63.3 Å²	63.3	87%	0.872	31%	0.31	S	S	*	.	S	Bend	trans	-53.4	-36.4	170.5	-75	-72.7	172.8	0	0	112.6	P740	M738-P740 WeakPolarHBondContact O-CD 3.21Å
739	N	78.2	Confident	79.1	Confident	92 Å²	92	60.3 Å²	60.3	49%	0.492	30%	0.295	S	S	.	.	S	Bend	trans	-78.2	118.8	171.5	-64.8	-29.3	0	0	0	110.4	T737 E741 Q742 A743	T737-N739 PolarHBondContact O-N 3.06Å; T737-N739 PolarHBondContact OG1-O 2.98Å; N739-E741 VanDerWaalsContact C-N 3.3Å; N739-E741 PolarHBondContact O-N 3.06Å; N739-Q742 HydrophobicContact CB-CB 4.25Å; N739-Q742 HydrophobicContact CB-CG 4.36Å; N739-Q742 PolarHBondContact ND2-OE1 2.92Å; N739-Q742 PolarHBondContact O-N 3.37Å; N739-A743 PolarHBondContact O-N 3.26Å
740	P	78.7	Confident	79.1	Confident	14 Å²	14	59.9 Å²	59.9	9%	0.091	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-27.5	-179.5	-17	29.1	0	0	0	113.8	G550 Y551 R568 P569 M738 Q742 A743	G550-P740 VanDerWaalsContact O-CG 3.23Å; G550-P740 WeakPolarHBondContact O-CG 3.27Å; Y551-P740 HydrophobicContact CD1-CB 4.34Å; Y551-P740 HydrophobicContact CD2-CG 4.22Å; Y551-P740 HydrophobicContact CE1-CB 4.08Å; Y551-P740 HydrophobicContact CE2-CG 4.2Å; Y551-P740 HydrophobicContact CG-CG 4.39Å; R568-P740 HydrophobicContact CB-CB 4.09Å; R568-P740 VanDerWaalsContact CD-O 3.22Å; R568-P740 WeakPolarHBondContact CD-O 3Å; R568-P740 PolarHBondContact NH1-O 2.81Å; R568-P740 VanDerWaalsContact NH1-O 3.14Å; P569-P740 HydrophobicContact CG-CB 4.17Å; P569-P740 HydrophobicContact CG-CG 4.21Å; M738-P740 WeakPolarHBondContact O-CD 3.21Å; P740-Q742 PolarHBondContact O-N 3.37Å; P740-A743 WeakPolarHBondContact O-CB 3.27Å; P740-A743 PolarHBondContact O-N 3.49Å
741	E	78.3	Confident	79	Confident	150 Å²	150	59 Å²	59	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-32.5	177.1	-71	174.7	-154.7	0	0	112.7	R568 N739 R744	R568-E741 PolarHBondContact NH1-O 3.12Å; R568-E741 VanDerWaalsContact NH1-O 3.08Å; N739-E741 VanDerWaalsContact C-N 3.3Å; N739-E741 PolarHBondContact O-N 3.06Å; E741-R744 PolarHBondContact O-NH1 3.46Å; E741-R744 PolarHBondContact O-NH2 3.42Å
742	Q	79.3	Confident	79.1	Confident	114 Å²	114	60.9 Å²	60.9	53%	0.533	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.5	-178.7	-69.6	173.4	-26.3	0	0	113	T737 N739 P740 R744	T737-Q742 HydrophobicContact CG2-CB 4.43Å; T737-Q742 VanDerWaalsContact OG1-C 3.3Å; T737-Q742 WeakPolarHBondContact OG1-CB 3.29Å; N739-Q742 HydrophobicContact CB-CB 4.25Å; N739-Q742 HydrophobicContact CB-CG 4.36Å; N739-Q742 PolarHBondContact ND2-OE1 2.92Å; N739-Q742 PolarHBondContact O-N 3.37Å; P740-Q742 PolarHBondContact O-N 3.37Å; Q742-R744 PolarHBondContact O-N 3.16Å
743	A	82.3	Confident	79.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.			trans	-59	130.6	179	0	0	0	0	0	112.3	Y551 I579 T737 N739 P740	Y551-A743 HydrophobicContact CE1-CB 4.37Å; Y551-A743 VanDerWaalsContact OH-CB 3.24Å; Y551-A743 WeakPolarHBondContact OH-CB 3.3Å; I579-A743 HydrophobicContact CG2-CB 4.26Å; T737-A743 PolarHBondContact OG1-N 2.82Å; N739-A743 PolarHBondContact O-N 3.26Å; P740-A743 WeakPolarHBondContact O-CB 3.27Å; P740-A743 PolarHBondContact O-N 3.49Å
744	R	82.6	Confident	80	Confident	80 Å²	80	61.3 Å²	61.3	30%	0.302	31%	0.306	S	S	.	.			trans	-133.4	155.1	174.8	-60	-62.2	176.3	-94.9	-2.2	110.3	I579 P580 I582 H735 E741 Q742	I579-R744 VanDerWaalsContact CG2-C 3.5Å; P580-R744 WeakPolarHBondContact O-CA 2.82Å; P580-R744 WeakPolarHBondContact O-CD 3.27Å; I582-R744 HydrophobicContact CD1-CB 4.22Å; I582-R744 HydrophobicContact CG1-CB 4.24Å; I582-R744 HydrophobicContact CG2-CB 4.09Å; I582-R744 HydrophobicContact CG2-CG 3.97Å; H735-R744 HydrophobicContact CB-CB 4.13Å; H735-R744 WeakPolarHBondContact CB-O 3.42Å; H735-R744 PolarHBondContact O-N 3.05Å; E741-R744 PolarHBondContact O-NH1 3.46Å; E741-R744 PolarHBondContact O-NH2 3.42Å; Q742-R744 PolarHBondContact O-N 3.16Å
745	G	83.6	Confident	80.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.7	167.2	0	0	0	0	0	110.7	P580 I581 I582 D731 Y732	P580-G745 PolarHBondContact O-N 2.99Å; I581-G745 CarbonylContact C-O 3.57Å; I581-G745 VanDerWaalsContact CA-O 3.27Å; I581-G745 WeakPolarHBondContact CA-O 3.36Å; I582-G745 WeakPolarHBondContact CG1-O 3.37Å; I582-G745 PolarHBondContact N-O 2.79Å; D731-G745 CarbonylContact O-C 3.09Å; D731-G745 WeakPolarHBondContact O-CA 3.22Å; Y732-G745 VanDerWaalsContact CD1-CA 3.44Å
746	V	86.3	Confident	81.7	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.3	-178.4	-175.6	0	0	0	0	110	I582 I730 D731 H735 K748 L818	I582-V746 HydrophobicContact CD1-CG2 4.2Å; I582-V746 HydrophobicContact CG1-CG2 4.14Å; I730-V746 WeakPolarHBondContact CA-O 3.1Å; D731-V746 PolarHBondContact N-O 3.11Å; D731-V746 PolarHBondContact O-N 3.15Å; H735-V746 WeakPolarHBondContact ND1-CG2 3.4Å; V746-K748 HydrophobicContact CG1-CD 4.48Å; V746-K748 PolarHBondContact O-N 2.68Å; V746-L818 HydrophobicContact CG1-CD2 3.68Å
747	L	86.8	Confident	82.4	Confident	22 Å²	22	57.9 Å²	57.9	12%	0.115	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	113.7	171	-179.2	65.1	0	0	0	109.9	I581 I582 K649 P650 I728 I730	I581-L747 HydrophobicContact CG2-CB 3.74Å; I582-L747 PolarHBondContact O-N 3.44Å; I582-L747 VanDerWaalsContact O-N 3.09Å; K649-L747 HydrophobicContact CG-CD2 4.37Å; P650-L747 HydrophobicContact CB-CD2 4.43Å; P650-L747 HydrophobicContact CB-CG 4.12Å; P650-L747 HydrophobicContact CG-CG 4.22Å; I728-L747 HydrophobicContact CB-CD1 4.49Å; I730-L747 HydrophobicContact CG1-CD1 4.05Å
748	K	85.9	Confident	82.9	Confident	40 Å²	40	59.4 Å²	59.4	17%	0.174	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164	175.4	59.8	-167.4	176.8	-163	0	112.4	I729 D731 E734 V746	I729-K748 HydrophobicContact CD1-CG 4.28Å; I729-K748 HydrophobicContact CG1-CG 3.95Å; I729-K748 PolarHBondContact N-O 2.97Å; I729-K748 PolarHBondContact O-N 3.26Å; I729-K748 VanDerWaalsContact O-O 3.09Å; D731-K748 VanDerWaalsContact CB-CE 3.5Å; D731-K748 VanDerWaalsContact OD2-CE 3.3Å; D731-K748 WeakPolarHBondContact OD2-CE 3.37Å; D731-K748 IonicContact OD2-NZ 3.93Å; D731-K748 PolarHBondContact OD2-NZ 3.34Å; E734-K748 IonicContact OE1-NZ 3.08Å; E734-K748 PolarHBondContact OE1-NZ 3.35Å; E734-K748 IonicContact OE2-NZ 3.7Å; E734-K748 PolarHBondContact OE2-NZ 3.29Å; V746-K748 HydrophobicContact CG1-CD 4.48Å; V746-K748 PolarHBondContact O-N 2.68Å
749	C	88.1	Confident	83.4	Confident	10 Å²	10	51.3 Å²	51.3	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	148.8	167.5	-64.6	0	0	0	0	109	C655 I751	C655-C749 VanDerWaalsContact CA-SG 3.52Å; C655-C749 HydrophobicContact CB-CB 3.75Å; C655-C749 WeakPolarHBondContact CB-SG 3.39Å; C655-C749 VanDerWaalsContact SG-CA 3.53Å; C655-C749 WeakPolarHBondContact SG-CB 3.48Å; C655-C749 CovalentContact SG-SG 2.04Å; C655-C749 PolarHBondContact SG-SG 3.39Å; C749-I751 VanDerWaalsContact C-N 3.34Å; C749-I751 HydrophobicContact CB-CG2 4.07Å; C749-I751 PolarHBondContact O-N 2.93Å
750	D	85.4	Confident	83.9	Confident	55 Å²	55	47.1 Å²	47.1	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-73.7	90.5	169.3	-161.3	2.1	0	0	0	109.2	N727 I729	N727-D750 HydrophobicContact CB-CB 3.89Å; N727-D750 PolarHBondContact O-N 3.24Å; I729-D750 HydrophobicContact CG2-CB 4.17Å
751	I	83.4	Confident	84.4	Confident	51 Å²	51	48 Å²	48	26%	0.262	26%	0.255	S	S	.	.			trans	-157.5	130.6	177.9	-169.3	174.6	0	0	0	109.6	W720 C749 Q755 I756	W720-I751 HydrophobicContact CH2-CD1 3.99Å; W720-I751 HydrophobicContact CZ2-CD1 4.29Å; W720-I751 HydrophobicContact CZ2-CG1 4.39Å; C749-I751 VanDerWaalsContact C-N 3.34Å; C749-I751 HydrophobicContact CB-CG2 4.07Å; C749-I751 PolarHBondContact O-N 2.93Å; I751-Q755 HydrophobicContact CG1-CB 3.99Å; I751-I756 HydrophobicContact CD1-CG1 3.77Å; I751-I756 HydrophobicContact CG1-CG1 4.02Å; I751-I756 HydrophobicContact CG2-CD1 4.49Å
752	T	84	Confident	85	Confident	74 Å²	74	43.5 Å²	43.5	45%	0.454	23%	0.232	S	C	.	.			trans	-90.3	157.1	-177.6	60.3	0	0	0	0	113.1	L754 Q755 I756	T752-L754 PolarHBondContact O-N 2.91Å; T752-Q755 WeakPolarHBondContact O-CB 3.42Å; T752-Q755 PolarHBondContact O-N 2.99Å; T752-Q755 WeakPolarHBondContact OG1-CB 3.39Å; T752-Q755 VanDerWaalsContact OG1-CG 3.27Å; T752-Q755 WeakPolarHBondContact OG1-CG 3.38Å; T752-Q755 PolarHBondContact OG1-N 3.24Å; T752-Q755 PolarHBondContact OG1-OE1 2.96Å; T752-I756 PolarHBondContact O-N 3.17Å
753	D	82.9	Confident	85.6	Confident	48 Å²	48	38.2 Å²	38.2	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-56.6	-37.7	177.3	-64	-35.8	0	0	0	112.2	I757 F808 K817	D753-I757 WeakPolarHBondContact O-CG1 3.42Å; D753-I757 PolarHBondContact O-N 3.3Å; D753-F808 HydrophobicContact CB-CE1 4.16Å; D753-F808 HydrophobicContact CB-CZ 4.37Å; D753-K817 IonicContact OD1-NZ 3.17Å; D753-K817 WeakPolarHBondContact OD2-CE 3.16Å; D753-K817 IonicContact OD2-NZ 2.82Å; D753-K817 PolarHBondContact OD2-NZ 3.34Å
754	L	82.3	Confident	86	Confident	122 Å²	122	40.3 Å²	40.3	64%	0.639	22%	0.219	S	C	*	.	H	α-helix	trans	-64.7	-46	174.7	177.9	61.1	0	0	0	111.7	T752 I756 I757 C758	T752-L754 PolarHBondContact O-N 2.91Å; L754-I756 PolarHBondContact O-N 3.33Å; L754-I757 PolarHBondContact O-N 3.38Å; L754-I757 VanDerWaalsContact O-N 3.17Å; L754-C758 PolarHBondContact O-N 3.42Å; L754-C758 PolarHBondContact O-SG 3.12Å; L754-C758 VanDerWaalsContact O-SG 3.33Å
755	Q	84.1	Confident	86.5	Confident	40 Å²	40	41.4 Å²	41.4	19%	0.187	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-41.9	177.8	-87.6	176.3	-20.3	0	0	112.8	W720 D724 I751 T752 I757 C758 S759	W720-Q755 HydrophobicContact CH2-CB 4.24Å; W720-Q755 HydrophobicContact CZ2-CB 3.6Å; W720-Q755 HydrophobicContact CZ2-CG 3.76Å; D724-Q755 PolarHBondContact OD2-NE2 2.74Å; I751-Q755 HydrophobicContact CG1-CB 3.99Å; T752-Q755 WeakPolarHBondContact O-CB 3.42Å; T752-Q755 PolarHBondContact O-N 2.99Å; T752-Q755 WeakPolarHBondContact OG1-CB 3.39Å; T752-Q755 VanDerWaalsContact OG1-CG 3.27Å; T752-Q755 WeakPolarHBondContact OG1-CG 3.38Å; T752-Q755 PolarHBondContact OG1-N 3.24Å; T752-Q755 PolarHBondContact OG1-OE1 2.96Å; Q755-I757 VanDerWaalsContact C-N 3.28Å; Q755-I757 PolarHBondContact O-N 3.45Å; Q755-C758 PolarHBondContact O-N 2.87Å; Q755-S759 PolarHBondContact O-N 3.42Å
756	I	85	Confident	86.9	Confident	21 Å²	21	41.7 Å²	41.7	11%	0.108	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-48	173.3	-70.8	171.2	0	0	0	109.9	L662 I751 T752 L754 S759 L760 F808 L825	L662-I756 HydrophobicContact CD2-CG2 4.36Å; I751-I756 HydrophobicContact CD1-CG1 3.77Å; I751-I756 HydrophobicContact CG1-CG1 4.02Å; I751-I756 HydrophobicContact CG2-CD1 4.49Å; T752-I756 PolarHBondContact O-N 3.17Å; L754-I756 PolarHBondContact O-N 3.33Å; I756-S759 PolarHBondContact O-N 2.74Å; I756-S759 PolarHBondContact O-OG 3.24Å; I756-L760 HydrophobicContact CG2-CD1 4.48Å; I756-L760 PolarHBondContact O-N 3.04Å; I756-F808 HydrophobicContact CB-CZ 4.43Å; I756-F808 HydrophobicContact CD1-CZ 4.33Å; I756-F808 HydrophobicContact CG2-CE2 4.35Å; I756-F808 HydrophobicContact CG2-CZ 4.04Å; I756-L825 HydrophobicContact CG2-CD2 4.07Å
757	I	84.9	Confident	87.1	Confident	49 Å²	49	42 Å²	42	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-68.6	-41.8	-179.6	-66.5	171.3	0	0	0	111.7	D753 L754 Q755 S759 L760 G761 F808 F809	D753-I757 WeakPolarHBondContact O-CG1 3.42Å; D753-I757 PolarHBondContact O-N 3.3Å; L754-I757 PolarHBondContact O-N 3.38Å; L754-I757 VanDerWaalsContact O-N 3.17Å; Q755-I757 VanDerWaalsContact C-N 3.28Å; Q755-I757 PolarHBondContact O-N 3.45Å; I757-S759 VanDerWaalsContact C-N 3.28Å; I757-S759 PolarHBondContact O-N 2.97Å; I757-L760 PolarHBondContact O-N 3.4Å; I757-L760 VanDerWaalsContact O-N 3.12Å; I757-G761 PolarHBondContact O-N 2.67Å; I757-F808 HydrophobicContact CD1-CD1 3.95Å; I757-F808 HydrophobicContact CD1-CE1 3.83Å; I757-F808 HydrophobicContact CG1-CD1 4.37Å; I757-F808 HydrophobicContact CG1-CE1 4.07Å; I757-F809 HydrophobicContact CD1-CE1 3.82Å; I757-F809 HydrophobicContact CD1-CE2 3.58Å; I757-F809 HydrophobicContact CD1-CZ 3.16Å
758	C	84.6	Confident	87.3	Confident	86 Å²	86	44.4 Å²	44.4	58%	0.581	25%	0.248	S	C	*	.	H	α-helix	trans	-57.1	-40.4	174.4	-71.4	0	0	0	0	112.1	L754 Q755 L760 G761	L754-C758 PolarHBondContact O-N 3.42Å; L754-C758 PolarHBondContact O-SG 3.12Å; L754-C758 VanDerWaalsContact O-SG 3.33Å; Q755-C758 PolarHBondContact O-N 2.87Å; C758-L760 PolarHBondContact O-N 3.37Å; C758-G761 PolarHBondContact O-N 3.21Å
759	S	85.6	Confident	87.6	Confident	8 Å²	8	44.7 Å²	44.7	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-30.4	177.9	83.6	0	0	0	0	113.8	Q713 Q755 I756 I757	Q713-S759 PolarHBondContact NE2-O 3.39Å; Q713-S759 VanDerWaalsContact NE2-O 3.11Å; Q755-S759 PolarHBondContact O-N 3.42Å; I756-S759 PolarHBondContact O-N 2.74Å; I756-S759 PolarHBondContact O-OG 3.24Å; I757-S759 VanDerWaalsContact C-N 3.28Å; I757-S759 PolarHBondContact O-N 2.97Å
760	L	87.7	Confident	87.7	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-91.1	-21.5	-179.2	-63.6	172.1	0	0	0	112.8	L662 I756 I757 C758 Y762 S763 I764 W801 L825 M829	L662-L760 HydrophobicContact CG-CD2 4.27Å; I756-L760 HydrophobicContact CG2-CD1 4.48Å; I756-L760 PolarHBondContact O-N 3.04Å; I757-L760 PolarHBondContact O-N 3.4Å; I757-L760 VanDerWaalsContact O-N 3.12Å; C758-L760 PolarHBondContact O-N 3.37Å; L760-Y762 VanDerWaalsContact C-N 3.33Å; L760-Y762 PolarHBondContact O-N 3.31Å; L760-S763 WeakPolarHBondContact O-CA 3.38Å; L760-S763 WeakPolarHBondContact O-CB 3.32Å; L760-S763 PolarHBondContact O-N 3.27Å; L760-I764 HydrophobicContact CB-CD1 4.31Å; L760-I764 WeakPolarHBondContact O-CG1 3.34Å; L760-I764 PolarHBondContact O-N 2.99Å; L760-W801 HydrophobicContact CD1-CH2 4.37Å; L760-W801 HydrophobicContact CD1-CZ3 4.12Å; L760-W801 HydrophobicContact CD2-CH2 4.36Å; L760-L825 HydrophobicContact CD1-CD1 3.96Å; L760-M829 HydrophobicContact CD2-CE 3.55Å
761	G	89.8	Confident	88	Confident	34 Å²	34	42.4 Å²	42.4	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-54.4	-41.6	-173.7	0	0	0	0	0	114.3	I757 C758 I764 L765	I757-G761 PolarHBondContact O-N 2.67Å; C758-G761 PolarHBondContact O-N 3.21Å; G761-I764 PolarHBondContact O-N 3.36Å; G761-L765 WeakPolarHBondContact O-CB 3.29Å; G761-L765 PolarHBondContact O-N 3.11Å
762	Y	91.7	Very high	88.3	Confident	54 Å²	54	43.4 Å²	43.4	21%	0.212	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-37.2	176	-177.1	-109.3	0	0	0	112.7	L709 V712 Q713 L760 L765 L766	L709-Y762 PolarHBondContact O-OH 3.25Å; V712-Y762 HydrophobicContact CB-CE1 4.16Å; V712-Y762 HydrophobicContact CB-CE2 4.45Å; V712-Y762 HydrophobicContact CG1-CD2 4.37Å; V712-Y762 HydrophobicContact CG1-CE1 4.22Å; V712-Y762 HydrophobicContact CG1-CE2 3.86Å; Q713-Y762 HydrophobicContact CB-CD1 4.09Å; Q713-Y762 HydrophobicContact CB-CE1 4.35Å; L760-Y762 VanDerWaalsContact C-N 3.33Å; L760-Y762 PolarHBondContact O-N 3.31Å; Y762-L765 HydrophobicContact CD2-CD2 4.44Å; Y762-L765 PolarHBondContact O-N 2.95Å; Y762-L766 HydrophobicContact CD1-CD1 3.99Å; Y762-L766 HydrophobicContact CD1-CG 4.37Å; Y762-L766 HydrophobicContact CE1-CD1 3.58Å; Y762-L766 HydrophobicContact CE1-CD2 4.45Å; Y762-L766 HydrophobicContact CE1-CG 4.02Å; Y762-L766 WeakPolarHBondContact O-CG 3.32Å; Y762-L766 PolarHBondContact O-N 3.47Å
763	S	90.6	Very high	88.5	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-36.7	173.4	-73.2	0	0	0	0	112.4	G663 C667 Y670 L760 L766 M767	G663-S763 PolarHBondContact O-OG 3.3Å; C667-S763 WeakPolarHBondContact CA-OG 3.25Å; C667-S763 PolarHBondContact N-OG 3.01Å; C667-S763 VanDerWaalsContact N-OG 3.16Å; Y670-S763 WeakPolarHBondContact CD2-O 3.32Å; L760-S763 WeakPolarHBondContact O-CA 3.38Å; L760-S763 WeakPolarHBondContact O-CB 3.32Å; L760-S763 PolarHBondContact O-N 3.27Å; S763-L766 PolarHBondContact O-N 3.47Å; S763-M767 WeakPolarHBondContact O-CB 3.47Å; S763-M767 PolarHBondContact O-N 3.49Å
764	I	90.9	Very high	88.7	Confident	44 Å²	44	40.7 Å²	40.7	23%	0.226	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-41.4	173	-65.9	168.5	0	0	0	110.5	L760 G761 M767 V768 W801	L760-I764 HydrophobicContact CB-CD1 4.31Å; L760-I764 WeakPolarHBondContact O-CG1 3.34Å; L760-I764 PolarHBondContact O-N 2.99Å; G761-I764 PolarHBondContact O-N 3.36Å; I764-M767 HydrophobicContact CG2-CE 4.22Å; I764-M767 WeakPolarHBondContact O-CB 3.35Å; I764-M767 PolarHBondContact O-N 3.07Å; I764-V768 WeakPolarHBondContact O-CG2 3.5Å; I764-V768 PolarHBondContact O-N 3.39Å; I764-W801 HydrophobicContact CD1-CE3 4.49Å
765	L	92.1	Very high	89	Confident	102 Å²	102	39.5 Å²	39.5	53%	0.534	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-43.5	174.5	-178.2	65	0	0	0	111.9	G761 Y762 V768 T769	G761-L765 WeakPolarHBondContact O-CB 3.29Å; G761-L765 PolarHBondContact O-N 3.11Å; Y762-L765 HydrophobicContact CD2-CD2 4.44Å; Y762-L765 PolarHBondContact O-N 2.95Å; L765-V768 PolarHBondContact O-N 3.34Å; L765-T769 WeakPolarHBondContact O-CB 3.04Å; L765-T769 PolarHBondContact O-N 3.44Å; L765-T769 PolarHBondContact O-OG1 3.45Å
766	L	92	Very high	89.1	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-44	172.7	-73	176.4	0	0	0	111.5	L674 L709 Y762 S763 T769 C770	L674-L766 HydrophobicContact CD2-CD2 3.86Å; L709-L766 HydrophobicContact CD2-CD2 4.31Å; Y762-L766 HydrophobicContact CD1-CD1 3.99Å; Y762-L766 HydrophobicContact CD1-CG 4.37Å; Y762-L766 HydrophobicContact CE1-CD1 3.58Å; Y762-L766 HydrophobicContact CE1-CD2 4.45Å; Y762-L766 HydrophobicContact CE1-CG 4.02Å; Y762-L766 WeakPolarHBondContact O-CG 3.32Å; Y762-L766 PolarHBondContact O-N 3.47Å; S763-L766 PolarHBondContact O-N 3.47Å; L766-T769 PolarHBondContact O-N 3.21Å; L766-C770 PolarHBondContact O-N 3.32Å; L766-C770 PolarHBondContact O-SG 3.39Å
767	M	91.4	Very high	88.9	Confident	7 Å²	7	42.7 Å²	42.7	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-51.1	176.5	-176.8	-169.9	57	0	0	111.8	Y670 S763 I764 T769 C770 T771 M794 W801	Y670-M767 HydrophobicContact CD1-CB 4.31Å; Y670-M767 HydrophobicContact CD1-CG 4.49Å; Y670-M767 HydrophobicContact CD2-CB 3.92Å; Y670-M767 HydrophobicContact CE1-CB 4.1Å; Y670-M767 HydrophobicContact CE1-CG 3.88Å; Y670-M767 HydrophobicContact CE2-CB 3.66Å; Y670-M767 HydrophobicContact CE2-CG 4.04Å; Y670-M767 HydrophobicContact CE2-SD 4.39Å; Y670-M767 HydrophobicContact CG-CB 4.24Å; Y670-M767 PolarHBondContact OH-SD 3.06Å; Y670-M767 VanDerWaalsContact OH-SD 3.42Å; S763-M767 WeakPolarHBondContact O-CB 3.47Å; S763-M767 PolarHBondContact O-N 3.49Å; I764-M767 HydrophobicContact CG2-CE 4.22Å; I764-M767 WeakPolarHBondContact O-CB 3.35Å; I764-M767 PolarHBondContact O-N 3.07Å; M767-T769 VanDerWaalsContact C-N 3.29Å; M767-T769 PolarHBondContact O-N 3.44Å; M767-C770 WeakPolarHBondContact O-CB 3.36Å; M767-C770 PolarHBondContact O-N 3.34Å; M767-C770 VanDerWaalsContact O-N 3.17Å; M767-T771 PolarHBondContact O-N 3.19Å; M767-T771 PolarHBondContact O-OG1 2.94Å; M767-M794 HydrophobicContact CB-CE 4.34Å; M767-M794 HydrophobicContact CG-CE 3.59Å; M767-M794 WeakPolarHBondContact O-CE 3.49Å; M767-W801 HydrophobicContact CE-CB 3.8Å; M767-W801 HydrophobicContact CE-CG 4.16Å; M767-W801 HydrophobicContact SD-CB 4.15Å; M767-W801 VanDerWaalsContact SD-CD1 3.57Å; M767-W801 HydrophobicContact SD-CG 4.03Å
768	V	91.4	Very high	88.7	Confident	73 Å²	73	50 Å²	50	44%	0.442	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-41.8	178.1	172	0	0	0	0	110.7	I764 L765 C770 T771 V772	I764-V768 WeakPolarHBondContact O-CG2 3.5Å; I764-V768 PolarHBondContact O-N 3.39Å; L765-V768 PolarHBondContact O-N 3.34Å; V768-C770 PolarHBondContact O-N 3.48Å; V768-T771 PolarHBondContact O-N 2.98Å; V768-V772 WeakPolarHBondContact O-CG2 3.22Å; V768-V772 PolarHBondContact O-N 3.08Å
769	T	91.5	Very high	88.2	Confident	46 Å²	46	49.8 Å²	49.8	28%	0.282	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-43.7	176.1	-53.9	0	0	0	0	111.4	L674 L765 L766 M767 T771 V772 Y773	L674-T769 HydrophobicContact CD1-CG2 3.88Å; L674-T769 HydrophobicContact CD2-CG2 4.09Å; L765-T769 WeakPolarHBondContact O-CB 3.04Å; L765-T769 PolarHBondContact O-N 3.44Å; L765-T769 PolarHBondContact O-OG1 3.45Å; L766-T769 PolarHBondContact O-N 3.21Å; M767-T769 VanDerWaalsContact C-N 3.29Å; M767-T769 PolarHBondContact O-N 3.44Å; T769-T771 VanDerWaalsContact C-N 3.34Å; T769-T771 PolarHBondContact O-N 3.29Å; T769-V772 PolarHBondContact O-N 2.9Å; T769-Y773 HydrophobicContact CG2-CD2 4.05Å; T769-Y773 HydrophobicContact CG2-CE2 3.91Å; T769-Y773 VanDerWaalsContact O-CD2 3.32Å; T769-Y773 WeakPolarHBondContact O-CD2 3.37Å; T769-Y773 PolarHBondContact O-N 2.94Å; T769-Y773 VanDerWaalsContact O-N 3.14Å
770	C	90.9	Very high	87.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-46.5	173.3	-69.1	0	0	0	0	111.6	Y670 L674 L766 M767 V768 V772 Y773 A774 M794	Y670-C770 PolarHBondContact O-SG 3.12Å; Y670-C770 VanDerWaalsContact O-SG 3.42Å; L674-C770 VanDerWaalsContact CA-SG 3.55Å; L674-C770 VanDerWaalsContact CB-SG 3.5Å; L674-C770 PolarHBondContact N-SG 3.12Å; L766-C770 PolarHBondContact O-N 3.32Å; L766-C770 PolarHBondContact O-SG 3.39Å; M767-C770 WeakPolarHBondContact O-CB 3.36Å; M767-C770 PolarHBondContact O-N 3.34Å; M767-C770 VanDerWaalsContact O-N 3.17Å; V768-C770 PolarHBondContact O-N 3.48Å; C770-V772 VanDerWaalsContact C-N 3.35Å; C770-V772 PolarHBondContact O-N 3.03Å; C770-Y773 PolarHBondContact O-N 3.47Å; C770-A774 WeakPolarHBondContact O-CB 3.4Å; C770-A774 PolarHBondContact O-N 2.83Å; C770-M794 HydrophobicContact CB-CE 3.42Å; C770-M794 VanDerWaalsContact CB-CE 3.42Å; C770-M794 HydrophobicContact CB-CG 4.18Å; C770-M794 HydrophobicContact CB-SD 3.63Å
771	T	90.7	Very high	86.8	Confident	18 Å²	18	53.9 Å²	53.9	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-40.1	-179.7	-58	0	0	0	0	111.9	M767 V768 T769 Y773 A774 I775 Y795 C798	M767-T771 PolarHBondContact O-N 3.19Å; M767-T771 PolarHBondContact O-OG1 2.94Å; V768-T771 PolarHBondContact O-N 2.98Å; T769-T771 VanDerWaalsContact C-N 3.34Å; T769-T771 PolarHBondContact O-N 3.29Å; T771-Y773 PolarHBondContact O-N 3.4Å; T771-A774 PolarHBondContact O-N 3.08Å; T771-I775 HydrophobicContact CG2-CD1 4.27Å; T771-I775 VanDerWaalsContact O-CG1 3.31Å; T771-I775 WeakPolarHBondContact O-CG1 3.34Å; T771-I775 PolarHBondContact O-N 3.29Å; T771-Y795 HydrophobicContact CG2-CD1 3.95Å; T771-Y795 HydrophobicContact CG2-CE1 3.99Å; T771-C798 PolarHBondContact OG1-SG 3.17Å
772	V	90.9	Very high	85.4	Confident	71 Å²	71	58.8 Å²	58.8	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-42.3	174.1	172.8	0	0	0	0	111.8	V768 T769 C770 K776	V768-V772 WeakPolarHBondContact O-CG2 3.22Å; V768-V772 PolarHBondContact O-N 3.08Å; T769-V772 PolarHBondContact O-N 2.9Å; C770-V772 VanDerWaalsContact C-N 3.35Å; C770-V772 PolarHBondContact O-N 3.03Å; V772-K776 WeakPolarHBondContact O-CG 3.44Å; V772-K776 PolarHBondContact O-N 3.09Å
773	Y	88.3	Confident	83.8	Confident	64 Å²	64	63.6 Å²	63.6	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-69.1	-36	174.5	-80.3	-73.8	0	0	0	112.6	L674 Y681 T769 C770 T771 K776 T777	L674-Y773 HydrophobicContact CD1-CD2 3.61Å; L674-Y773 HydrophobicContact CD1-CE2 4.06Å; L674-Y773 HydrophobicContact CD1-CG 4.49Å; Y681-Y773 AromaticContact CD1-CD1 3.92Å; Y681-Y773 HydrophobicContact CD1-CD1 3.92Å; Y681-Y773 AromaticContact CD1-CE1 3.68Å; Y681-Y773 HydrophobicContact CD1-CE1 3.68Å; Y681-Y773 HydrophobicContact CE1-CD1 4.49Å; Y681-Y773 AromaticContact CE1-CE1 3.99Å; Y681-Y773 HydrophobicContact CE1-CE1 3.99Å; Y681-Y773 AromaticContact CG-CD1 3.97Å; Y681-Y773 HydrophobicContact CG-CD1 3.97Å; Y681-Y773 HydrophobicContact CG-CE1 4.22Å; T769-Y773 HydrophobicContact CG2-CD2 4.05Å; T769-Y773 HydrophobicContact CG2-CE2 3.91Å; T769-Y773 VanDerWaalsContact O-CD2 3.32Å; T769-Y773 WeakPolarHBondContact O-CD2 3.37Å; T769-Y773 PolarHBondContact O-N 2.94Å; T769-Y773 VanDerWaalsContact O-N 3.14Å; C770-Y773 PolarHBondContact O-N 3.47Å; T771-Y773 PolarHBondContact O-N 3.4Å; Y773-K776 CarbonylContact O-C 3.53Å; Y773-K776 PolarHBondContact O-N 2.87Å; Y773-T777 PolarHBondContact O-N 3.23Å; Y773-T777 PolarHBondContact O-OG1 3.01Å; Y773-T777 VanDerWaalsContact O-OG1 3.07Å
774	A	87.3	Confident	82.4	Confident	2 Å²	2	69.6 Å²	69.6	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-43.2	177.2	0	0	0	0	0	111.7	T677 C770 T771 T777 R778 M794	T677-A774 HydrophobicContact CG2-CB 4.42Å; C770-A774 WeakPolarHBondContact O-CB 3.4Å; C770-A774 PolarHBondContact O-N 2.83Å; T771-A774 PolarHBondContact O-N 3.08Å; A774-T777 WeakPolarHBondContact CA-OG1 3.42Å; A774-T777 CarbonylContact O-C 3.57Å; A774-T777 PolarHBondContact O-N 3.14Å; A774-T777 VanDerWaalsContact O-N 3.16Å; A774-T777 PolarHBondContact O-OG1 3.39Å; A774-R778 PolarHBondContact O-N 3.43Å; A774-R778 VanDerWaalsContact O-N 3.16Å; A774-M794 HydrophobicContact CB-CB 4.47Å; A774-M794 HydrophobicContact CB-CG 4.38Å
775	I	87.6	Confident	81.1	Confident	97 Å²	97	73.1 Å²	73.1	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-58.3	-48.4	171.9	-67.4	164.1	0	0	0	110.3	T771 T777 R778 Y795	T771-I775 HydrophobicContact CG2-CD1 4.27Å; T771-I775 VanDerWaalsContact O-CG1 3.31Å; T771-I775 WeakPolarHBondContact O-CG1 3.34Å; T771-I775 PolarHBondContact O-N 3.29Å; I775-T777 PolarHBondContact O-N 2.9Å; I775-R778 VanDerWaalsContact O-CB 3.31Å; I775-R778 WeakPolarHBondContact O-CB 3.39Å; I775-R778 PolarHBondContact O-N 3.39Å; I775-R778 VanDerWaalsContact O-N 3.11Å; I775-Y795 HydrophobicContact CD1-CE1 4.37Å; I775-Y795 HydrophobicContact CG1-CE1 3.82Å; I775-Y795 WeakPolarHBondContact CG1-OH 3.38Å
776	K	85.3	Confident	80.3	Confident	123 Å²	123	70.2 Å²	70.2	54%	0.535	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-21.7	177.6	-73.3	-177.8	178.2	-178.6	0	114	Y681 V772 Y773	Y681-K776 HydrophobicContact CD2-CB 3.99Å; Y681-K776 HydrophobicContact CE2-CB 3.99Å; Y681-K776 HydrophobicContact CE2-CD 4.08Å; V772-K776 WeakPolarHBondContact O-CG 3.44Å; V772-K776 PolarHBondContact O-N 3.09Å; Y773-K776 CarbonylContact O-C 3.53Å; Y773-K776 PolarHBondContact O-N 2.87Å
777	T	81.3	Confident	79.7	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.025	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	1	175.3	51.8	0	0	0	0	114.8	T677 I680 Y681 Y773 A774 I775 G779 V780	T677-T777 HydrophobicContact CG2-CG2 4.44Å; I680-T777 HydrophobicContact CB-CG2 4.27Å; I680-T777 HydrophobicContact CG2-CG2 3.82Å; Y681-T777 HydrophobicContact CD2-CG2 4.46Å; Y773-T777 PolarHBondContact O-N 3.23Å; Y773-T777 PolarHBondContact O-OG1 3.01Å; Y773-T777 VanDerWaalsContact O-OG1 3.07Å; A774-T777 WeakPolarHBondContact CA-OG1 3.42Å; A774-T777 CarbonylContact O-C 3.57Å; A774-T777 PolarHBondContact O-N 3.14Å; A774-T777 VanDerWaalsContact O-N 3.16Å; A774-T777 PolarHBondContact O-OG1 3.39Å; I775-T777 PolarHBondContact O-N 2.9Å; T777-G779 PolarHBondContact O-N 3.49Å; T777-V780 WeakPolarHBondContact O-CB 3.48Å; T777-V780 VanDerWaalsContact O-CG2 3.25Å; T777-V780 WeakPolarHBondContact O-CG2 3.36Å; T777-V780 PolarHBondContact O-N 2.98Å
778	R	81.4	Confident	79.3	Confident	204 Å²	204	76.2 Å²	76.2	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.2	-179.6	-175.4	175.8	175.6	173.7	-1.2	113.9	A774 I775 V780	A774-R778 PolarHBondContact O-N 3.43Å; A774-R778 VanDerWaalsContact O-N 3.16Å; I775-R778 VanDerWaalsContact O-CB 3.31Å; I775-R778 WeakPolarHBondContact O-CB 3.39Å; I775-R778 PolarHBondContact O-N 3.39Å; I775-R778 VanDerWaalsContact O-N 3.11Å; R778-V780 VanDerWaalsContact C-N 3.25Å; R778-V780 PolarHBondContact O-N 3.03Å
779	G	72.9	Confident	79	Confident	80 Å²	80	74.6 Å²	74.6	83%	0.825	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	16.8	179.1	0	0	0	0	0	115.6	T777	T777-G779 PolarHBondContact O-N 3.49Å
780	V	75.9	Confident	78.8	Confident	25 Å²	25	72.5 Å²	72.5	15%	0.152	37%	0.374	C	S	.	.			trans	-78.7	130	179	163.9	0	0	0	0	110.6	I680 F684 T777 R778 F784 A787	I680-V780 HydrophobicContact CG2-CG2 4.2Å; F684-V780 HydrophobicContact CD1-CG2 4.28Å; F684-V780 HydrophobicContact CD2-CG1 4.34Å; F684-V780 HydrophobicContact CD2-CG2 3.48Å; F684-V780 VanDerWaalsContact CD2-CG2 3.48Å; F684-V780 HydrophobicContact CE1-CG1 4.21Å; F684-V780 HydrophobicContact CE1-CG2 4.39Å; F684-V780 HydrophobicContact CE2-CB 4.27Å; F684-V780 HydrophobicContact CE2-CG1 3.59Å; F684-V780 HydrophobicContact CE2-CG2 3.62Å; F684-V780 HydrophobicContact CG-CG2 3.85Å; F684-V780 HydrophobicContact CZ-CB 4.37Å; F684-V780 HydrophobicContact CZ-CG1 3.52Å; F684-V780 HydrophobicContact CZ-CG2 4.09Å; T777-V780 WeakPolarHBondContact O-CB 3.48Å; T777-V780 VanDerWaalsContact O-CG2 3.25Å; T777-V780 WeakPolarHBondContact O-CG2 3.36Å; T777-V780 PolarHBondContact O-N 2.98Å; R778-V780 VanDerWaalsContact C-N 3.25Å; R778-V780 PolarHBondContact O-N 3.03Å; V780-F784 HydrophobicContact CG1-CB 3.76Å; V780-A787 HydrophobicContact CB-CB 4.27Å; V780-A787 HydrophobicContact CG1-CB 4.4Å
781	P	68.6	Low	78.6	Confident	73 Å²	73	72.8 Å²	72.8	47%	0.474	38%	0.377	S	S	.	.			trans	-67.9	147.9	179.3	27.7	-35.1	0	0	0	112.4	F684 N783 F784	F684-P781 HydrophobicContact CE1-CG 4.34Å; P781-N783 PolarHBondContact O-N 3.01Å; P781-F784 PolarHBondContact O-N 3.49Å
782	E	60.8	Low	78.5	Confident	137 Å²	137	77.4 Å²	77.4	64%	0.64	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-60.6	-16	-166.1	-57.5	-168.1	130	0	0	115.3	F784 N785	E782-F784 PolarHBondContact O-N 3.15Å; E782-N785 PolarHBondContact O-N 2.8Å; E782-N785 VanDerWaalsContact O-N 3.16Å; E782-N785 PolarHBondContact O-ND2 3.37Å; E782-N785 PolarHBondContact O-OD1 3.03Å; E782-N785 VanDerWaalsContact O-OD1 3.04Å
783	N	58.6	Low	78.5	Confident	155 Å²	155	74 Å²	74	83%	0.829	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.5	-14.5	168.5	-69	-50.6	0	0	0	113.8	P781	P781-N783 PolarHBondContact O-N 3.01Å
784	F	60.1	Low	78.6	Confident	130 Å²	130	71 Å²	71	57%	0.57	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-119.4	59.2	170.7	-72.8	-95.8	0	0	0	111.7	F684 V780 P781 E782 E786	F684-F784 HydrophobicContact CE1-CD2 4.45Å; F684-F784 HydrophobicContact CE2-CB 4.35Å; F684-F784 HydrophobicContact CE2-CG 4.28Å; F684-F784 HydrophobicContact CZ-CB 4.04Å; F684-F784 HydrophobicContact CZ-CD1 4.43Å; F684-F784 AromaticContact CZ-CD2 3.64Å; F684-F784 HydrophobicContact CZ-CD2 3.64Å; F684-F784 HydrophobicContact CZ-CE2 4.14Å; F684-F784 AromaticContact CZ-CG 3.79Å; F684-F784 HydrophobicContact CZ-CG 3.79Å; V780-F784 HydrophobicContact CG1-CB 3.76Å; P781-F784 PolarHBondContact O-N 3.49Å; E782-F784 PolarHBondContact O-N 3.15Å; F784-E786 PolarHBondContact O-N 3.36Å
785	N	63.1	Low	78.8	Confident	118 Å²	118	74.2 Å²	74.2	63%	0.631	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-3.3	-175.8	-88.9	-35.9	0	0	0	119	E782 P789	E782-N785 PolarHBondContact O-N 2.8Å; E782-N785 VanDerWaalsContact O-N 3.16Å; E782-N785 PolarHBondContact O-ND2 3.37Å; E782-N785 PolarHBondContact O-OD1 3.03Å; E782-N785 VanDerWaalsContact O-OD1 3.04Å; N785-P789 VanDerWaalsContact O-CD 3.22Å; N785-P789 WeakPolarHBondContact O-CD 3.49Å
786	E	75.4	Confident	79	Confident	41 Å²	41	71.9 Å²	71.9	19%	0.192	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.7	-176.9	-172.8	160	-126.7	0	0	114.2	S624 K676 F784 K788 I790 K844	S624-E786 PolarHBondContact OG-OE1 2.86Å; K676-E786 WeakPolarHBondContact CE-OE1 3.46Å; K676-E786 WeakPolarHBondContact CE-OE2 3.19Å; K676-E786 IonicContact NZ-OE1 3.13Å; K676-E786 PolarHBondContact NZ-OE1 3.26Å; K676-E786 IonicContact NZ-OE2 3.55Å; F784-E786 PolarHBondContact O-N 3.36Å; E786-K788 PolarHBondContact O-N 2.88Å; E786-I790 HydrophobicContact CG-CD1 3.88Å; E786-I790 HydrophobicContact CG-CG1 4.5Å; E786-I790 WeakPolarHBondContact O-CG1 3.48Å; E786-I790 PolarHBondContact O-N 3.1Å; E786-K844 WeakPolarHBondContact OE1-CE 3.31Å; E786-K844 IonicContact OE1-NZ 3.31Å; E786-K844 PolarHBondContact OE1-NZ 3.32Å
787	A	80.1	Confident	79.2	Confident	11 Å²	11	66 Å²	66	9%	0.091	34%	0.341	C	S	.	.	H	α-helix	trans	-69.5	-34.3	-176.5	0	0	0	0	0	113.9	V780 I790 G791	V780-A787 HydrophobicContact CB-CB 4.27Å; V780-A787 HydrophobicContact CG1-CB 4.4Å; A787-I790 PolarHBondContact O-N 3.1Å; A787-G791 PolarHBondContact O-N 3.34Å
788	K	82.3	Confident	79.7	Confident	129 Å²	129	66.8 Å²	66.8	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-70.3	-46.3	-175.7	-179.8	177.5	-178.3	-178.9	0	112.5	E786 I790 G791 F792	E786-K788 PolarHBondContact O-N 2.88Å; K788-I790 PolarHBondContact O-N 2.96Å; K788-G791 PolarHBondContact O-N 3.04Å; K788-F792 HydrophobicContact CG-CD2 4.27Å; K788-F792 HydrophobicContact CG-CE2 3.77Å; K788-F792 VanDerWaalsContact O-CD2 3.25Å; K788-F792 WeakPolarHBondContact O-CD2 3.47Å; K788-F792 PolarHBondContact O-N 2.94Å; K788-F792 VanDerWaalsContact O-N 3.15Å
789	P	85.9	Confident	80.2	Confident	39 Å²	39	62.6 Å²	62.6	25%	0.253	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-37.5	170.4	-24.8	34.9	0	0	0	114.3	N785 G791 F792 T793 L840	N785-P789 VanDerWaalsContact O-CD 3.22Å; N785-P789 WeakPolarHBondContact O-CD 3.49Å; P789-G791 VanDerWaalsContact C-N 3.35Å; P789-F792 PolarHBondContact O-N 2.74Å; P789-T793 WeakPolarHBondContact O-CB 3.3Å; P789-T793 PolarHBondContact O-N 2.72Å; P789-T793 PolarHBondContact O-OG1 3.4Å; P789-L840 HydrophobicContact CB-CD2 4.42Å
790	I	87.5	Confident	81	Confident	2 Å²	2	60 Å²	60	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-44.9	174.2	-70	172.2	0	0	0	110.6	K676 T677 I680 E786 A787 K788 T793 M794 L840	K676-I790 HydrophobicContact CD-CD1 4.47Å; K676-I790 HydrophobicContact CG-CD1 4.24Å; T677-I790 HydrophobicContact CG2-CG2 4.38Å; T677-I790 WeakPolarHBondContact OG1-CG2 3.38Å; I680-I790 HydrophobicContact CD1-CD1 4.03Å; E786-I790 HydrophobicContact CG-CD1 3.88Å; E786-I790 HydrophobicContact CG-CG1 4.5Å; E786-I790 WeakPolarHBondContact O-CG1 3.48Å; E786-I790 PolarHBondContact O-N 3.1Å; A787-I790 PolarHBondContact O-N 3.1Å; K788-I790 PolarHBondContact O-N 2.96Å; I790-T793 WeakPolarHBondContact O-CB 3.44Å; I790-T793 PolarHBondContact O-N 2.89Å; I790-M794 HydrophobicContact CG2-CG 4.5Å; I790-M794 WeakPolarHBondContact O-CG 3.47Å; I790-M794 PolarHBondContact O-N 3.29Å; I790-L840 HydrophobicContact CB-CD2 4.38Å; I790-L840 HydrophobicContact CG1-CD2 3.68Å
791	G	87.4	Confident	81.7	Confident	5 Å²	5	59.2 Å²	59.2	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-54.8	-55.1	174.4	0	0	0	0	0	112.7	A787 K788 P789 T793 M794 Y795	A787-G791 PolarHBondContact O-N 3.34Å; K788-G791 PolarHBondContact O-N 3.04Å; P789-G791 VanDerWaalsContact C-N 3.35Å; G791-T793 VanDerWaalsContact C-N 3.34Å; G791-T793 PolarHBondContact O-N 2.94Å; G791-M794 PolarHBondContact O-N 2.9Å; G791-Y795 WeakPolarHBondContact O-CD2 3.23Å; G791-Y795 WeakPolarHBondContact O-CE2 3.38Å; G791-Y795 PolarHBondContact O-N 3.45Å
792	F	88.4	Confident	82.7	Confident	115 Å²	115	61.7 Å²	61.7	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-58.1	-44.5	178.7	-71.6	-58.5	0	0	0	112.8	K788 P789 M794 Y795 T796 M839	K788-F792 HydrophobicContact CG-CD2 4.27Å; K788-F792 HydrophobicContact CG-CE2 3.77Å; K788-F792 VanDerWaalsContact O-CD2 3.25Å; K788-F792 WeakPolarHBondContact O-CD2 3.47Å; K788-F792 PolarHBondContact O-N 2.94Å; K788-F792 VanDerWaalsContact O-N 3.15Å; P789-F792 PolarHBondContact O-N 2.74Å; F792-M794 VanDerWaalsContact C-N 3.34Å; F792-M794 PolarHBondContact O-N 3.29Å; F792-Y795 PolarHBondContact O-N 3.42Å; F792-T796 PolarHBondContact O-N 2.78Å; F792-T796 PolarHBondContact O-OG1 3.47Å; F792-M839 HydrophobicContact CB-SD 3.83Å
793	T	90.8	Very high	84.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-52.9	-53.4	176.1	-54.4	0	0	0	0	110.8	P789 I790 G791 Y795 T796 T797 V835 A836 M839 L840	P789-T793 WeakPolarHBondContact O-CB 3.3Å; P789-T793 PolarHBondContact O-N 2.72Å; P789-T793 PolarHBondContact O-OG1 3.4Å; I790-T793 WeakPolarHBondContact O-CB 3.44Å; I790-T793 PolarHBondContact O-N 2.89Å; G791-T793 VanDerWaalsContact C-N 3.34Å; G791-T793 PolarHBondContact O-N 2.94Å; T793-Y795 PolarHBondContact O-N 3.36Å; T793-T796 PolarHBondContact O-N 3.48Å; T793-T797 WeakPolarHBondContact O-CG2 3.09Å; T793-T797 PolarHBondContact O-N 2.98Å; T793-T797 PolarHBondContact O-OG1 3.17Å; T793-V835 HydrophobicContact CG2-CG1 4.28Å; T793-A836 HydrophobicContact CG2-CB 4.11Å; T793-M839 WeakPolarHBondContact OG1-CB 3.46Å; T793-L840 HydrophobicContact CG2-CD1 4.11Å; T793-L840 HydrophobicContact CG2-CG 4.18Å; T793-L840 VanDerWaalsContact OG1-CD2 3.23Å; T793-L840 WeakPolarHBondContact OG1-CD2 3.37Å; T793-L840 WeakPolarHBondContact OG1-CG 3.48Å
794	M	90.1	Very high	85.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-38.3	-176.7	-68.1	-51	-41.4	0	0	113.2	Y670 L673 M767 C770 A774 I790 G791 F792 T797 C798	Y670-M794 HydrophobicContact CD1-CE 4.13Å; Y670-M794 HydrophobicContact CD1-SD 4.37Å; Y670-M794 HydrophobicContact CE1-CE 3.9Å; Y670-M794 HydrophobicContact CE1-SD 4.33Å; L673-M794 HydrophobicContact CD1-SD 4.18Å; M767-M794 HydrophobicContact CB-CE 4.34Å; M767-M794 HydrophobicContact CG-CE 3.59Å; M767-M794 WeakPolarHBondContact O-CE 3.49Å; C770-M794 HydrophobicContact CB-CE 3.42Å; C770-M794 VanDerWaalsContact CB-CE 3.42Å; C770-M794 HydrophobicContact CB-CG 4.18Å; C770-M794 HydrophobicContact CB-SD 3.63Å; A774-M794 HydrophobicContact CB-CB 4.47Å; A774-M794 HydrophobicContact CB-CG 4.38Å; I790-M794 HydrophobicContact CG2-CG 4.5Å; I790-M794 WeakPolarHBondContact O-CG 3.47Å; I790-M794 PolarHBondContact O-N 3.29Å; G791-M794 PolarHBondContact O-N 2.9Å; F792-M794 VanDerWaalsContact C-N 3.34Å; F792-M794 PolarHBondContact O-N 3.29Å; M794-T797 PolarHBondContact O-OG1 3.15Å; M794-T797 VanDerWaalsContact O-OG1 3.11Å; M794-C798 WeakPolarHBondContact O-CB 3.47Å; M794-C798 PolarHBondContact O-N 3.38Å; M794-C798 PolarHBondContact O-SG 3.04Å; M794-C798 VanDerWaalsContact O-SG 3.32Å
795	Y	90.9	Very high	86.8	Confident	70 Å²	70	47.6 Å²	47.6	28%	0.275	25%	0.25	S	C	.	.	H	α-helix	trans	-65.5	-44.7	176.6	-57	-40.8	0	0	0	111.5	T771 I775 G791 F792 T793 C798 I799	T771-Y795 HydrophobicContact CG2-CD1 3.95Å; T771-Y795 HydrophobicContact CG2-CE1 3.99Å; I775-Y795 HydrophobicContact CD1-CE1 4.37Å; I775-Y795 HydrophobicContact CG1-CE1 3.82Å; I775-Y795 WeakPolarHBondContact CG1-OH 3.38Å; G791-Y795 WeakPolarHBondContact O-CD2 3.23Å; G791-Y795 WeakPolarHBondContact O-CE2 3.38Å; G791-Y795 PolarHBondContact O-N 3.45Å; F792-Y795 PolarHBondContact O-N 3.42Å; T793-Y795 PolarHBondContact O-N 3.36Å; Y795-C798 PolarHBondContact O-N 2.9Å; Y795-I799 WeakPolarHBondContact O-CG1 3.25Å; Y795-I799 PolarHBondContact O-N 3.23Å
796	T	91.4	Very high	88	Confident	47 Å²	47	46.1 Å²	46.1	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-69	-39.6	179.8	-61	0	0	0	0	112	F792 T793 C798 I799 V800 V835 M839	F792-T796 PolarHBondContact O-N 2.78Å; F792-T796 PolarHBondContact O-OG1 3.47Å; T793-T796 PolarHBondContact O-N 3.48Å; T796-C798 PolarHBondContact O-N 3.49Å; T796-I799 PolarHBondContact O-N 3.14Å; T796-V800 PolarHBondContact O-N 3.16Å; T796-V835 HydrophobicContact CG2-CB 4.44Å; T796-V835 HydrophobicContact CG2-CG1 3.8Å; T796-V835 HydrophobicContact CG2-CG2 3.69Å; T796-M839 HydrophobicContact CG2-CE 4.22Å
797	T	90.5	Very high	88.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-39.8	173.9	55.9	0	0	0	0	112	Y670 T793 M794 I799 V800 W801 S832 V835	Y670-T797 WeakPolarHBondContact OH-CB 3.44Å; T793-T797 WeakPolarHBondContact O-CG2 3.09Å; T793-T797 PolarHBondContact O-N 2.98Å; T793-T797 PolarHBondContact O-OG1 3.17Å; M794-T797 PolarHBondContact O-OG1 3.15Å; M794-T797 VanDerWaalsContact O-OG1 3.11Å; T797-I799 VanDerWaalsContact C-N 3.29Å; T797-I799 PolarHBondContact O-N 3.04Å; T797-V800 PolarHBondContact O-N 2.77Å; T797-W801 VanDerWaalsContact O-CD1 3.28Å; T797-W801 PolarHBondContact O-N 3.48Å; T797-W801 VanDerWaalsContact O-N 3.07Å; T797-S832 WeakPolarHBondContact CG2-OG 3.29Å; T797-V835 HydrophobicContact CG2-CB 4.29Å; T797-V835 HydrophobicContact CG2-CG1 3.94Å
798	C	90.8	Very high	88.8	Confident	20 Å²	20	47.5 Å²	47.5	14%	0.135	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-38.1	174.7	-77.8	0	0	0	0	112.7	T771 M794 Y795 T796 W801 L802	T771-C798 PolarHBondContact OG1-SG 3.17Å; M794-C798 WeakPolarHBondContact O-CB 3.47Å; M794-C798 PolarHBondContact O-N 3.38Å; M794-C798 PolarHBondContact O-SG 3.04Å; M794-C798 VanDerWaalsContact O-SG 3.32Å; Y795-C798 PolarHBondContact O-N 2.9Å; T796-C798 PolarHBondContact O-N 3.49Å; C798-W801 PolarHBondContact O-N 3.15Å; C798-L802 WeakPolarHBondContact O-CB 3.31Å; C798-L802 VanDerWaalsContact O-CG 3.25Å; C798-L802 WeakPolarHBondContact O-CG 3.47Å; C798-L802 PolarHBondContact O-N 3.49Å
799	I	92	Very high	88.9	Confident	115 Å²	115	46.9 Å²	46.9	59%	0.59	25%	0.25	S	S	*	.	H	α-helix	trans	-65.1	-43.8	176.7	-67.2	164.6	0	0	0	111.1	Y795 T796 T797 W801 L802 A803	Y795-I799 WeakPolarHBondContact O-CG1 3.25Å; Y795-I799 PolarHBondContact O-N 3.23Å; T796-I799 PolarHBondContact O-N 3.14Å; T797-I799 VanDerWaalsContact C-N 3.29Å; T797-I799 PolarHBondContact O-N 3.04Å; I799-W801 PolarHBondContact O-N 3.29Å; I799-L802 PolarHBondContact O-N 3Å; I799-A803 PolarHBondContact O-N 3.3Å
800	V	91.5	Very high	88.7	Confident	25 Å²	25	48 Å²	48	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-44.2	177.2	174.6	0	0	0	0	111.4	T796 T797 A803 F804 L831	T796-V800 PolarHBondContact O-N 3.16Å; T797-V800 PolarHBondContact O-N 2.77Å; V800-A803 PolarHBondContact O-N 3.5Å; V800-F804 PolarHBondContact O-N 3.02Å; V800-L831 HydrophobicContact CG1-CB 4.25Å; V800-L831 HydrophobicContact CG2-CB 4.49Å
801	W	89.9	Confident	88.5	Confident	9 Å²	9	49.1 Å²	49.1	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-74.6	-28.9	179.9	-76.5	100.5	0	0	0	113.7	M666 L760 I764 M767 T797 C798 I799 F804 M829 S832	M666-W801 HydrophobicContact CE-CZ2 3.82Å; M666-W801 HydrophobicContact CG-CZ2 4.41Å; M666-W801 HydrophobicContact SD-CZ2 4.2Å; L760-W801 HydrophobicContact CD1-CH2 4.37Å; L760-W801 HydrophobicContact CD1-CZ3 4.12Å; L760-W801 HydrophobicContact CD2-CH2 4.36Å; I764-W801 HydrophobicContact CD1-CE3 4.49Å; M767-W801 HydrophobicContact CE-CB 3.8Å; M767-W801 HydrophobicContact CE-CG 4.16Å; M767-W801 HydrophobicContact SD-CB 4.15Å; M767-W801 VanDerWaalsContact SD-CD1 3.57Å; M767-W801 HydrophobicContact SD-CG 4.03Å; T797-W801 VanDerWaalsContact O-CD1 3.28Å; T797-W801 PolarHBondContact O-N 3.48Å; T797-W801 VanDerWaalsContact O-N 3.07Å; C798-W801 PolarHBondContact O-N 3.15Å; I799-W801 PolarHBondContact O-N 3.29Å; W801-F804 HydrophobicContact CE3-CB 4.36Å; W801-F804 AromaticContact CE3-CD1 3.83Å; W801-F804 HydrophobicContact CE3-CD1 3.83Å; W801-F804 HydrophobicContact CE3-CG 4.23Å; W801-F804 AromaticContact CZ3-CD1 3.79Å; W801-F804 HydrophobicContact CZ3-CD1 3.79Å; W801-F804 HydrophobicContact CZ3-CE1 4.11Å; W801-F804 HydrophobicContact CZ3-CG 4.23Å; W801-M829 HydrophobicContact CH2-CE 4.13Å; W801-M829 HydrophobicContact CH2-CG 4.14Å; W801-M829 HydrophobicContact CZ2-CG 4.17Å; W801-S832 PolarHBondContact NE1-OG 3.3Å; W801-S832 VanDerWaalsContact NE1-OG 3.17Å
802	L	89.1	Confident	87.6	Confident	126 Å²	126	50.5 Å²	50.5	66%	0.66	29%	0.287	S	S	*	.	H	α-helix	trans	-69.8	-32.1	170.3	-75.2	169.5	0	0	0	112.5	C798 I799 P806	C798-L802 WeakPolarHBondContact O-CB 3.31Å; C798-L802 VanDerWaalsContact O-CG 3.25Å; C798-L802 WeakPolarHBondContact O-CG 3.47Å; C798-L802 PolarHBondContact O-N 3.49Å; I799-L802 PolarHBondContact O-N 3Å; L802-P806 WeakPolarHBondContact O-CD 3.34Å
803	A	89.8	Confident	86.6	Confident	52 Å²	52	54.4 Å²	54.4	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-75.1	-33.4	173.7	0	0	0	0	0	112.8	I799 V800 I807	I799-A803 PolarHBondContact O-N 3.3Å; V800-A803 PolarHBondContact O-N 3.5Å; A803-I807 WeakPolarHBondContact O-CD1 3.39Å; A803-I807 WeakPolarHBondContact O-CG1 3.14Å
804	F	89.4	Confident	85.7	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-49	178.4	168.8	-103.8	0	0	0	113.2	V800 W801 I807 F808 T824 L825	V800-F804 PolarHBondContact O-N 3.02Å; W801-F804 HydrophobicContact CE3-CB 4.36Å; W801-F804 AromaticContact CE3-CD1 3.83Å; W801-F804 HydrophobicContact CE3-CD1 3.83Å; W801-F804 HydrophobicContact CE3-CG 4.23Å; W801-F804 AromaticContact CZ3-CD1 3.79Å; W801-F804 HydrophobicContact CZ3-CD1 3.79Å; W801-F804 HydrophobicContact CZ3-CE1 4.11Å; W801-F804 HydrophobicContact CZ3-CG 4.23Å; F804-I807 PolarHBondContact O-N 3.18Å; F804-F808 HydrophobicContact CE1-CB 4.23Å; F804-F808 HydrophobicContact CE1-CG 4.39Å; F804-F808 HydrophobicContact CE2-CB 3.91Å; F804-F808 AromaticContact CE2-CD2 3.92Å; F804-F808 HydrophobicContact CE2-CD2 3.92Å; F804-F808 HydrophobicContact CE2-CG 4.19Å; F804-F808 HydrophobicContact CZ-CB 3.74Å; F804-F808 AromaticContact CZ-CD2 3.62Å; F804-F808 HydrophobicContact CZ-CD2 3.62Å; F804-F808 HydrophobicContact CZ-CE2 4.4Å; F804-F808 AromaticContact CZ-CG 3.72Å; F804-F808 HydrophobicContact CZ-CG 3.72Å; F804-F808 PolarHBondContact O-N 3.21Å; F804-T824 HydrophobicContact CD2-CG2 4.05Å; F804-T824 HydrophobicContact CE2-CG2 4.47Å; F804-L825 HydrophobicContact CE2-CB 3.91Å; F804-L825 HydrophobicContact CE2-CD1 3.91Å; F804-L825 HydrophobicContact CZ-CB 4.41Å; F804-L825 HydrophobicContact CZ-CD1 3.79Å
805	I	85.9	Confident	84.4	Confident	69 Å²	69	60.1 Å²	60.1	35%	0.354	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-48.4	-168.3	-64.6	167.5	0	0	0	112.7	I807 F809	I805-I807 VanDerWaalsContact C-N 3.34Å; I805-I807 PolarHBondContact O-N 3.09Å; I805-F809 HydrophobicContact CG2-CD2 4.1Å; I805-F809 HydrophobicContact CG2-CE2 4.13Å; I805-F809 WeakPolarHBondContact O-CD2 3.48Å; I805-F809 PolarHBondContact O-N 3.32Å
806	P	88	Confident	83.4	Confident	87 Å²	87	61.3 Å²	61.3	57%	0.565	36%	0.36	S	S	*	.	H	α-helix	trans	-62.9	-36.3	176.3	-24.4	35.4	0	0	0	113.8	L802 G810	L802-P806 WeakPolarHBondContact O-CD 3.34Å; P806-G810 PolarHBondContact O-N 3.19Å
807	I	87.9	Confident	82.8	Confident	78 Å²	78	61 Å²	61	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-68.2	-47.6	-179.1	-60.5	169.5	0	0	0	110	A803 F804 I805 F809 G810 T811 T824	A803-I807 WeakPolarHBondContact O-CD1 3.39Å; A803-I807 WeakPolarHBondContact O-CG1 3.14Å; F804-I807 PolarHBondContact O-N 3.18Å; I805-I807 VanDerWaalsContact C-N 3.34Å; I805-I807 PolarHBondContact O-N 3.09Å; I807-F809 VanDerWaalsContact C-N 3.31Å; I807-F809 PolarHBondContact O-N 3.44Å; I807-G810 PolarHBondContact O-N 2.93Å; I807-T811 HydrophobicContact CG2-CG2 4.33Å; I807-T811 WeakPolarHBondContact O-CG2 3.24Å; I807-T811 PolarHBondContact O-N 3.49Å; I807-T811 VanDerWaalsContact O-N 3.12Å; I807-T811 PolarHBondContact O-OG1 2.99Å; I807-T824 HydrophobicContact CB-CG2 4.15Å; I807-T824 HydrophobicContact CG2-CG2 3.7Å
808	F	85.2	Confident	82.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-39.7	-178.2	-178.1	-94.6	0	0	0	113.3	D753 I756 I757 F804 T811 Q821	D753-F808 HydrophobicContact CB-CE1 4.16Å; D753-F808 HydrophobicContact CB-CZ 4.37Å; I756-F808 HydrophobicContact CB-CZ 4.43Å; I756-F808 HydrophobicContact CD1-CZ 4.33Å; I756-F808 HydrophobicContact CG2-CE2 4.35Å; I756-F808 HydrophobicContact CG2-CZ 4.04Å; I757-F808 HydrophobicContact CD1-CD1 3.95Å; I757-F808 HydrophobicContact CD1-CE1 3.83Å; I757-F808 HydrophobicContact CG1-CD1 4.37Å; I757-F808 HydrophobicContact CG1-CE1 4.07Å; F804-F808 HydrophobicContact CE1-CB 4.23Å; F804-F808 HydrophobicContact CE1-CG 4.39Å; F804-F808 HydrophobicContact CE2-CB 3.91Å; F804-F808 AromaticContact CE2-CD2 3.92Å; F804-F808 HydrophobicContact CE2-CD2 3.92Å; F804-F808 HydrophobicContact CE2-CG 4.19Å; F804-F808 HydrophobicContact CZ-CB 3.74Å; F804-F808 AromaticContact CZ-CD2 3.62Å; F804-F808 HydrophobicContact CZ-CD2 3.62Å; F804-F808 HydrophobicContact CZ-CE2 4.4Å; F804-F808 AromaticContact CZ-CG 3.72Å; F804-F808 HydrophobicContact CZ-CG 3.72Å; F804-F808 PolarHBondContact O-N 3.21Å; F808-T811 PolarHBondContact O-OG1 3.39Å; F808-Q821 HydrophobicContact CD2-CB 4.1Å; F808-Q821 HydrophobicContact CD2-CG 4.03Å; F808-Q821 HydrophobicContact CE2-CB 3.92Å; F808-Q821 HydrophobicContact CE2-CG 4.04Å; F808-Q821 PolarHBondContact O-NE2 3.03Å
809	F	84.2	Confident	81.9	Confident	116 Å²	116	64.2 Å²	64.2	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-79.1	-41.4	175.1	-77.7	-63.8	0	0	0	113	I757 I805 I807 T811 A812	I757-F809 HydrophobicContact CD1-CE1 3.82Å; I757-F809 HydrophobicContact CD1-CE2 3.58Å; I757-F809 HydrophobicContact CD1-CZ 3.16Å; I805-F809 HydrophobicContact CG2-CD2 4.1Å; I805-F809 HydrophobicContact CG2-CE2 4.13Å; I805-F809 WeakPolarHBondContact O-CD2 3.48Å; I805-F809 PolarHBondContact O-N 3.32Å; I807-F809 VanDerWaalsContact C-N 3.31Å; I807-F809 PolarHBondContact O-N 3.44Å; F809-T811 PolarHBondContact O-N 3.47Å; F809-A812 VanDerWaalsContact O-CB 3.25Å; F809-A812 WeakPolarHBondContact O-CB 3.49Å; F809-A812 PolarHBondContact O-N 2.97Å; F809-A812 VanDerWaalsContact O-N 3.1Å
810	G	82	Confident	81.5	Confident	64 Å²	64	60.4 Å²	60.4	66%	0.66	35%	0.347	S	S	*	.	H	α-helix	trans	-61.7	-25.8	-179.1	0	0	0	0	0	113.8	P806 I807	P806-G810 PolarHBondContact O-N 3.19Å; I807-G810 PolarHBondContact O-N 2.93Å
811	T	82.4	Confident	81.3	Confident	24 Å²	24	59.9 Å²	59.9	15%	0.147	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.2	178.8	55.5	0	0	0	0	114.1	I807 F808 F809 Q813 S814 I820 Q821	I807-T811 HydrophobicContact CG2-CG2 4.33Å; I807-T811 WeakPolarHBondContact O-CG2 3.24Å; I807-T811 PolarHBondContact O-N 3.49Å; I807-T811 VanDerWaalsContact O-N 3.12Å; I807-T811 PolarHBondContact O-OG1 2.99Å; F808-T811 PolarHBondContact O-OG1 3.39Å; F809-T811 PolarHBondContact O-N 3.47Å; T811-Q813 PolarHBondContact O-N 3.31Å; T811-Q813 VanDerWaalsContact O-N 3.14Å; T811-S814 WeakPolarHBondContact O-CB 3.17Å; T811-S814 PolarHBondContact O-N 3.3Å; T811-S814 VanDerWaalsContact O-N 3.08Å; T811-S814 PolarHBondContact O-OG 3.16Å; T811-I820 HydrophobicContact CG2-CB 4.38Å; T811-I820 HydrophobicContact CG2-CG2 3.53Å; T811-Q821 WeakPolarHBondContact OG1-CG 3.25Å
812	A	69.9	Low	81.1	Confident	35 Å²	35	60.3 Å²	60.3	29%	0.289	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.3	-172.6	0	0	0	0	0	115	F809	F809-A812 VanDerWaalsContact O-CB 3.25Å; F809-A812 WeakPolarHBondContact O-CB 3.49Å; F809-A812 PolarHBondContact O-N 2.97Å; F809-A812 VanDerWaalsContact O-N 3.1Å
813	Q	67.9	Low	81.1	Confident	197 Å²	197	54.8 Å²	54.8	92%	0.921	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	3.5	175.2	-66.5	-177.4	-20.3	0	0	113.6	T811	T811-Q813 PolarHBondContact O-N 3.31Å; T811-Q813 VanDerWaalsContact O-N 3.14Å
814	S	71.7	Confident	81.1	Confident	42 Å²	42	53.5 Å²	53.5	29%	0.294	31%	0.305	S	S	.	.	S	Bend	trans	-86.7	144.1	-176.3	67.5	0	0	0	0	112.6	T811 E816 K817	T811-S814 WeakPolarHBondContact O-CB 3.17Å; T811-S814 PolarHBondContact O-N 3.3Å; T811-S814 VanDerWaalsContact O-N 3.08Å; T811-S814 PolarHBondContact O-OG 3.16Å; S814-E816 PolarHBondContact O-N 2.82Å; S814-E816 VanDerWaalsContact O-N 3.07Å; S814-K817 VanDerWaalsContact O-CB 3.32Å; S814-K817 WeakPolarHBondContact O-CB 3.18Å; S814-K817 PolarHBondContact O-N 2.93Å; S814-K817 PolarHBondContact OG-N 3.39Å
815	A	61.2	Low	81.1	Confident	79 Å²	79	53.4 Å²	53.4	65%	0.653	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.7	175.1	0	0	0	0	0	113.7	H735	H735-A815 PolarHBondContact CE1-O 3.21Å; H735-A815 PolarHBondContact NE2-O 3.48Å
816	E	70.4	Confident	81.3	Confident	94 Å²	94	50.2 Å²	50.2	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.4	174.4	-61.3	-165.5	149.4	0	0	113	W590 S814 L818 Y819 I820	W590-E816 WeakPolarHBondContact CZ2-OE2 3.17Å; S814-E816 PolarHBondContact O-N 2.82Å; S814-E816 VanDerWaalsContact O-N 3.07Å; E816-L818 VanDerWaalsContact C-N 3.29Å; E816-L818 PolarHBondContact O-N 3.17Å; E816-Y819 HydrophobicContact CB-CD2 4.17Å; E816-Y819 WeakPolarHBondContact O-CB 3.06Å; E816-Y819 PolarHBondContact O-N 3.38Å; E816-I820 HydrophobicContact CB-CD1 3.99Å; E816-I820 HydrophobicContact CB-CG1 4.13Å; E816-I820 PolarHBondContact O-N 3.36Å; E816-I820 VanDerWaalsContact O-N 3.09Å
817	K	79.8	Confident	81.5	Confident	40 Å²	40	48.2 Å²	48.2	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-37.1	-54	-176.7	178.2	-176.5	179.5	-176.6	0	113.7	E734 D753 S814 Y819 I820 Q821	E734-K817 IonicContact OE1-NZ 2.66Å; D753-K817 IonicContact OD1-NZ 3.17Å; D753-K817 WeakPolarHBondContact OD2-CE 3.16Å; D753-K817 IonicContact OD2-NZ 2.82Å; D753-K817 PolarHBondContact OD2-NZ 3.34Å; S814-K817 VanDerWaalsContact O-CB 3.32Å; S814-K817 WeakPolarHBondContact O-CB 3.18Å; S814-K817 PolarHBondContact O-N 2.93Å; S814-K817 PolarHBondContact OG-N 3.39Å; K817-Y819 PolarHBondContact O-N 3.45Å; K817-I820 PolarHBondContact O-N 2.77Å; K817-Q821 HydrophobicContact CG-CG 4.34Å; K817-Q821 WeakPolarHBondContact O-CB 3.39Å; K817-Q821 PolarHBondContact O-N 2.82Å
818	L	78.5	Confident	81.7	Confident	42 Å²	42	45 Å²	45	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-55.5	-47	-179.6	176.8	65.6	0	0	0	112.7	V746 E816 T822	V746-L818 HydrophobicContact CG1-CD2 3.68Å; E816-L818 VanDerWaalsContact C-N 3.29Å; E816-L818 PolarHBondContact O-N 3.17Å; L818-T822 VanDerWaalsContact O-CB 3.23Å; L818-T822 WeakPolarHBondContact O-CB 3.42Å; L818-T822 PolarHBondContact O-N 2.94Å; L818-T822 PolarHBondContact O-OG1 3.24Å
819	Y	82.9	Confident	82	Confident	48 Å²	48	45 Å²	45	19%	0.188	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-50.2	-178.7	-61.1	-85.9	0	0	0	110.3	L584 W590 E816 K817 T823	L584-Y819 HydrophobicContact CD1-CD1 3.45Å; L584-Y819 VanDerWaalsContact CD1-CD1 3.45Å; L584-Y819 HydrophobicContact CD1-CE1 3.71Å; W590-Y819 AromaticContact CD1-CD1 3.81Å; W590-Y819 HydrophobicContact CG-CD1 4.41Å; E816-Y819 HydrophobicContact CB-CD2 4.17Å; E816-Y819 WeakPolarHBondContact O-CB 3.06Å; E816-Y819 PolarHBondContact O-N 3.38Å; K817-Y819 PolarHBondContact O-N 3.45Å; Y819-T823 VanDerWaalsContact O-CB 3.25Å; Y819-T823 WeakPolarHBondContact O-CB 3.23Å; Y819-T823 PolarHBondContact O-N 2.81Å; Y819-T823 VanDerWaalsContact O-N 3.08Å; Y819-T823 PolarHBondContact O-OG1 3.47Å
820	I	84.6	Confident	82.4	Confident	34 Å²	34	39.5 Å²	39.5	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-50.1	-172.2	-54.8	174.6	0	0	0	110.8	W590 T811 E816 K817 T822 T823 T824	W590-I820 HydrophobicContact CH2-CG1 4.18Å; W590-I820 HydrophobicContact CZ2-CG1 4.34Å; T811-I820 HydrophobicContact CG2-CB 4.38Å; T811-I820 HydrophobicContact CG2-CG2 3.53Å; E816-I820 HydrophobicContact CB-CD1 3.99Å; E816-I820 HydrophobicContact CB-CG1 4.13Å; E816-I820 PolarHBondContact O-N 3.36Å; E816-I820 VanDerWaalsContact O-N 3.09Å; K817-I820 PolarHBondContact O-N 2.77Å; I820-T822 PolarHBondContact O-N 3.29Å; I820-T823 PolarHBondContact O-N 3.3Å; I820-T824 PolarHBondContact O-N 2.72Å; I820-T824 PolarHBondContact O-OG1 3.04Å; I820-T824 VanDerWaalsContact O-OG1 3.06Å
821	Q	86	Confident	82.9	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-43.5	-178.9	-73.6	-177.7	-39.4	0	0	112.4	F808 T811 K817 T823 L825	F808-Q821 HydrophobicContact CD2-CB 4.1Å; F808-Q821 HydrophobicContact CD2-CG 4.03Å; F808-Q821 HydrophobicContact CE2-CB 3.92Å; F808-Q821 HydrophobicContact CE2-CG 4.04Å; F808-Q821 PolarHBondContact O-NE2 3.03Å; T811-Q821 WeakPolarHBondContact OG1-CG 3.25Å; K817-Q821 HydrophobicContact CG-CG 4.34Å; K817-Q821 WeakPolarHBondContact O-CB 3.39Å; K817-Q821 PolarHBondContact O-N 2.82Å; Q821-T823 VanDerWaalsContact C-N 3.34Å; Q821-T823 PolarHBondContact O-N 2.87Å; Q821-L825 WeakPolarHBondContact O-CB 3.45Å; Q821-L825 PolarHBondContact O-N 3.22Å
822	T	87.2	Confident	83.4	Confident	17 Å²	17	39.1 Å²	39.1	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-41.3	177.5	-55	0	0	0	0	111.5	L584 M646 L818 I820 T826	L584-T822 HydrophobicContact CD2-CG2 4.13Å; M646-T822 HydrophobicContact CB-CG2 4.3Å; M646-T822 HydrophobicContact CE-CG2 4.37Å; L818-T822 VanDerWaalsContact O-CB 3.23Å; L818-T822 WeakPolarHBondContact O-CB 3.42Å; L818-T822 PolarHBondContact O-N 2.94Å; L818-T822 PolarHBondContact O-OG1 3.24Å; I820-T822 PolarHBondContact O-N 3.29Å; T822-T826 WeakPolarHBondContact O-CG2 3.45Å; T822-T826 PolarHBondContact O-N 3.49Å; T822-T826 VanDerWaalsContact O-N 3.1Å; T822-T826 PolarHBondContact O-OG1 3.44Å
823	T	88.8	Confident	84.5	Confident	11 Å²	11	37.7 Å²	37.7	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-46.9	179.7	-56.2	0	0	0	0	111.7	W590 P594 Y819 I820 Q821 L825 T826 I827	W590-T823 HydrophobicContact CE3-CG2 4.2Å; W590-T823 WeakPolarHBondContact O-CG2 3.45Å; W590-T823 PolarHBondContact O-OG1 3.12Å; P594-T823 HydrophobicContact CG-CG2 3.95Å; Y819-T823 VanDerWaalsContact O-CB 3.25Å; Y819-T823 WeakPolarHBondContact O-CB 3.23Å; Y819-T823 PolarHBondContact O-N 2.81Å; Y819-T823 VanDerWaalsContact O-N 3.08Å; Y819-T823 PolarHBondContact O-OG1 3.47Å; I820-T823 PolarHBondContact O-N 3.3Å; Q821-T823 VanDerWaalsContact C-N 3.34Å; Q821-T823 PolarHBondContact O-N 2.87Å; T823-L825 PolarHBondContact O-N 3.38Å; T823-T826 PolarHBondContact O-N 3.39Å; T823-T826 PolarHBondContact O-OG1 3.22Å; T823-T826 VanDerWaalsContact O-OG1 3.07Å; T823-I827 HydrophobicContact CG2-CD1 3.7Å; T823-I827 HydrophobicContact CG2-CG1 4.41Å; T823-I827 WeakPolarHBondContact O-CB 3.37Å; T823-I827 VanDerWaalsContact O-CG1 3.28Å; T823-I827 WeakPolarHBondContact O-CG1 3.34Å; T823-I827 PolarHBondContact O-N 2.92Å
824	T	89.1	Confident	85.7	Confident	25 Å²	25	30.6 Å²	30.6	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-45.9	177.9	-54	0	0	0	0	111.3	F804 I807 I820 T826 I827 S828	F804-T824 HydrophobicContact CD2-CG2 4.05Å; F804-T824 HydrophobicContact CE2-CG2 4.47Å; I807-T824 HydrophobicContact CB-CG2 4.15Å; I807-T824 HydrophobicContact CG2-CG2 3.7Å; I820-T824 PolarHBondContact O-N 2.72Å; I820-T824 PolarHBondContact O-OG1 3.04Å; I820-T824 VanDerWaalsContact O-OG1 3.06Å; T824-T826 PolarHBondContact O-N 3.23Å; T824-I827 PolarHBondContact O-N 3.18Å; T824-S828 WeakPolarHBondContact O-CB 3.42Å; T824-S828 PolarHBondContact O-N 3.43Å; T824-S828 PolarHBondContact O-OG 3.49Å
825	L	89.4	Confident	86.8	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-46.8	179.3	176.8	53.8	0	0	0	112.1	M646 L662 I756 L760 F804 Q821 T823 M829	M646-L825 HydrophobicContact CE-CD2 3.98Å; L662-L825 HydrophobicContact CD1-CD1 4.43Å; L662-L825 HydrophobicContact CD1-CD2 4.03Å; L662-L825 HydrophobicContact CD1-CG 4.34Å; I756-L825 HydrophobicContact CG2-CD2 4.07Å; L760-L825 HydrophobicContact CD1-CD1 3.96Å; F804-L825 HydrophobicContact CE2-CB 3.91Å; F804-L825 HydrophobicContact CE2-CD1 3.91Å; F804-L825 HydrophobicContact CZ-CB 4.41Å; F804-L825 HydrophobicContact CZ-CD1 3.79Å; Q821-L825 WeakPolarHBondContact O-CB 3.45Å; Q821-L825 PolarHBondContact O-N 3.22Å; T823-L825 PolarHBondContact O-N 3.38Å; L825-M829 HydrophobicContact CD1-CE 4.01Å; L825-M829 WeakPolarHBondContact O-CG 3.34Å; L825-M829 PolarHBondContact O-N 2.86Å
826	T	91.2	Very high	88.2	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-41.9	177.3	50.4	0	0	0	0	112.2	T643 M646 T822 T823 T824 S828 M829 N830	T643-T826 HydrophobicContact CG2-CG2 4.3Å; M646-T826 HydrophobicContact CB-CG2 3.7Å; M646-T826 HydrophobicContact CG-CG2 4.05Å; T822-T826 WeakPolarHBondContact O-CG2 3.45Å; T822-T826 PolarHBondContact O-N 3.49Å; T822-T826 VanDerWaalsContact O-N 3.1Å; T822-T826 PolarHBondContact O-OG1 3.44Å; T823-T826 PolarHBondContact O-N 3.39Å; T823-T826 PolarHBondContact O-OG1 3.22Å; T823-T826 VanDerWaalsContact O-OG1 3.07Å; T824-T826 PolarHBondContact O-N 3.23Å; T826-S828 PolarHBondContact O-N 2.8Å; T826-M829 PolarHBondContact O-N 3.14Å; T826-N830 WeakPolarHBondContact O-CB 3.42Å; T826-N830 PolarHBondContact O-N 2.69Å; T826-N830 PolarHBondContact O-ND2 2.96Å
827	I	92.1	Very high	89.2	Confident	46 Å²	46	22 Å²	22	24%	0.236	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-44.4	176	-70.8	174.1	0	0	0	111.4	I593 P594 T823 T824 M829 N830 L831	I593-I827 HydrophobicContact CG2-CD1 4.37Å; P594-I827 HydrophobicContact CB-CG1 4.48Å; P594-I827 HydrophobicContact CG-CD1 4.4Å; P594-I827 HydrophobicContact CG-CG1 4.03Å; T823-I827 HydrophobicContact CG2-CD1 3.7Å; T823-I827 HydrophobicContact CG2-CG1 4.41Å; T823-I827 WeakPolarHBondContact O-CB 3.37Å; T823-I827 VanDerWaalsContact O-CG1 3.28Å; T823-I827 WeakPolarHBondContact O-CG1 3.34Å; T823-I827 PolarHBondContact O-N 2.92Å; T824-I827 PolarHBondContact O-N 3.18Å; I827-M829 VanDerWaalsContact C-N 3.31Å; I827-M829 PolarHBondContact O-N 3.33Å; I827-N830 PolarHBondContact O-N 3.35Å; I827-L831 HydrophobicContact CG2-CD1 3.73Å; I827-L831 HydrophobicContact CG2-CG 4.17Å; I827-L831 WeakPolarHBondContact O-CB 3.41Å; I827-L831 WeakPolarHBondContact O-CG 3.46Å; I827-L831 PolarHBondContact O-N 2.98Å
828	S	91.4	Very high	89.7	Confident	10 Å²	10	21.7 Å²	21.7	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-39.3	177	-68.9	0	0	0	0	112.5	T824 T826 S832	T824-S828 WeakPolarHBondContact O-CB 3.42Å; T824-S828 PolarHBondContact O-N 3.43Å; T824-S828 PolarHBondContact O-OG 3.49Å; T826-S828 PolarHBondContact O-N 2.8Å; S828-S832 VanDerWaalsContact O-CB 3.28Å; S828-S832 WeakPolarHBondContact O-CB 3.44Å; S828-S832 PolarHBondContact O-N 3.11Å
829	M	91.3	Very high	90.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-47.4	173.5	-71.5	-176.6	167.4	0	0	112.5	I642 L662 M666 L760 W801 L825 T826 I827 L831 S832 A833	I642-M829 HydrophobicContact CG1-SD 4.43Å; I642-M829 HydrophobicContact CG2-SD 3.97Å; L662-M829 HydrophobicContact CD1-CE 3.55Å; L662-M829 HydrophobicContact CD1-SD 4.09Å; L662-M829 HydrophobicContact CG-CE 4.08Å; L662-M829 VanDerWaalsContact O-CE 3.24Å; L662-M829 WeakPolarHBondContact O-CE 3.44Å; M666-M829 HydrophobicContact CG-CE 4.34Å; L760-M829 HydrophobicContact CD2-CE 3.55Å; W801-M829 HydrophobicContact CH2-CE 4.13Å; W801-M829 HydrophobicContact CH2-CG 4.14Å; W801-M829 HydrophobicContact CZ2-CG 4.17Å; L825-M829 HydrophobicContact CD1-CE 4.01Å; L825-M829 WeakPolarHBondContact O-CG 3.34Å; L825-M829 PolarHBondContact O-N 2.86Å; T826-M829 PolarHBondContact O-N 3.14Å; I827-M829 VanDerWaalsContact C-N 3.31Å; I827-M829 PolarHBondContact O-N 3.33Å; M829-L831 VanDerWaalsContact C-N 3.34Å; M829-L831 PolarHBondContact O-N 2.93Å; M829-S832 PolarHBondContact O-N 3.16Å; M829-A833 WeakPolarHBondContact O-CB 3.45Å; M829-A833 PolarHBondContact O-N 2.97Å
830	N	93.5	Very high	90.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-42.9	178.1	-84.8	-88	0	0	0	112.2	L597 A598 Y640 T643 T826 I827 S834	L597-N830 HydrophobicContact CB-CB 4.4Å; A598-N830 WeakPolarHBondContact CA-OD1 3.41Å; A598-N830 WeakPolarHBondContact CB-OD1 3.22Å; A598-N830 PolarHBondContact N-OD1 2.99Å; Y640-N830 VanDerWaalsContact CD1-OD1 3.32Å; Y640-N830 WeakPolarHBondContact CD1-OD1 3.25Å; T643-N830 PolarHBondContact OG1-ND2 2.9Å; T826-N830 WeakPolarHBondContact O-CB 3.42Å; T826-N830 PolarHBondContact O-N 2.69Å; T826-N830 PolarHBondContact O-ND2 2.96Å; I827-N830 PolarHBondContact O-N 3.35Å; N830-S834 VanDerWaalsContact O-CB 3.29Å; N830-S834 WeakPolarHBondContact O-CB 3.27Å; N830-S834 PolarHBondContact O-N 2.97Å; N830-S834 PolarHBondContact O-OG 3.26Å
831	L	92.7	Very high	90.6	Very high	76 Å²	76	19.5 Å²	19.5	40%	0.398	12%	0.118	S	C	.	.	H	α-helix	trans	-66.7	-44.2	175.6	-70.6	173.6	0	0	0	111.4	V800 I827 M829 A833 S834 V835	V800-L831 HydrophobicContact CG1-CB 4.25Å; V800-L831 HydrophobicContact CG2-CB 4.49Å; I827-L831 HydrophobicContact CG2-CD1 3.73Å; I827-L831 HydrophobicContact CG2-CG 4.17Å; I827-L831 WeakPolarHBondContact O-CB 3.41Å; I827-L831 WeakPolarHBondContact O-CG 3.46Å; I827-L831 PolarHBondContact O-N 2.98Å; M829-L831 VanDerWaalsContact C-N 3.34Å; M829-L831 PolarHBondContact O-N 2.93Å; L831-A833 VanDerWaalsContact C-N 3.31Å; L831-A833 PolarHBondContact O-N 3.07Å; L831-S834 PolarHBondContact O-N 3.16Å; L831-V835 WeakPolarHBondContact O-CB 3.39Å; L831-V835 VanDerWaalsContact O-CG2 3.28Å; L831-V835 WeakPolarHBondContact O-CG2 2.99Å; L831-V835 PolarHBondContact O-N 2.97Å
832	S	92	Very high	90.7	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-37.5	178.9	-161.2	0	0	0	0	112.4	Y670 T797 W801 S828 M829 A836	Y670-S832 PolarHBondContact OH-OG 3.22Å; T797-S832 WeakPolarHBondContact CG2-OG 3.29Å; W801-S832 PolarHBondContact NE1-OG 3.3Å; W801-S832 VanDerWaalsContact NE1-OG 3.17Å; S828-S832 VanDerWaalsContact O-CB 3.28Å; S828-S832 WeakPolarHBondContact O-CB 3.44Å; S828-S832 PolarHBondContact O-N 3.11Å; M829-S832 PolarHBondContact O-N 3.16Å; S832-A836 PolarHBondContact O-N 3.04Å
833	A	92.7	Very high	90.6	Very high	5 Å²	5	25 Å²	25	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-69.4	-43.9	173.3	0	0	0	0	0	112.1	I636 C639 Y640 M829 L831 V835 A836 L837	I636-A833 HydrophobicContact CG2-CB 4.35Å; C639-A833 HydrophobicContact CB-CB 3.91Å; Y640-A833 HydrophobicContact CD1-CB 4.34Å; Y640-A833 HydrophobicContact CD2-CB 4.46Å; Y640-A833 HydrophobicContact CE1-CB 3.8Å; Y640-A833 HydrophobicContact CE2-CB 3.92Å; M829-A833 WeakPolarHBondContact O-CB 3.45Å; M829-A833 PolarHBondContact O-N 2.97Å; L831-A833 VanDerWaalsContact C-N 3.31Å; L831-A833 PolarHBondContact O-N 3.07Å; A833-V835 PolarHBondContact O-N 3.19Å; A833-A836 PolarHBondContact O-N 3.31Å; A833-L837 PolarHBondContact O-N 3.16Å
834	S	93.9	Very high	90.5	Very high	48 Å²	48	26 Å²	26	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-64	-37.9	179.9	-59.5	0	0	0	0	112.8	Y640 N830 L831 L837 G838	Y640-S834 WeakPolarHBondContact OH-CA 3.44Å; Y640-S834 PolarHBondContact OH-N 3.04Å; Y640-S834 VanDerWaalsContact OH-N 3.13Å; Y640-S834 PolarHBondContact OH-OG 3.49Å; N830-S834 VanDerWaalsContact O-CB 3.29Å; N830-S834 WeakPolarHBondContact O-CB 3.27Å; N830-S834 PolarHBondContact O-N 2.97Å; N830-S834 PolarHBondContact O-OG 3.26Å; L831-S834 PolarHBondContact O-N 3.16Å; S834-L837 PolarHBondContact O-N 2.99Å; S834-G838 PolarHBondContact O-N 2.71Å
835	V	93.4	Very high	90.5	Very high	24 Å²	24	25.1 Å²	25.1	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-44.3	173.8	167.7	0	0	0	0	111	T793 T796 T797 L831 A833 M839	T793-V835 HydrophobicContact CG2-CG1 4.28Å; T796-V835 HydrophobicContact CG2-CB 4.44Å; T796-V835 HydrophobicContact CG2-CG1 3.8Å; T796-V835 HydrophobicContact CG2-CG2 3.69Å; T797-V835 HydrophobicContact CG2-CB 4.29Å; T797-V835 HydrophobicContact CG2-CG1 3.94Å; L831-V835 WeakPolarHBondContact O-CB 3.39Å; L831-V835 VanDerWaalsContact O-CG2 3.28Å; L831-V835 WeakPolarHBondContact O-CG2 2.99Å; L831-V835 PolarHBondContact O-N 2.97Å; A833-V835 PolarHBondContact O-N 3.19Å; V835-M839 HydrophobicContact CG1-CE 4.24Å; V835-M839 HydrophobicContact CG1-SD 4.08Å; V835-M839 WeakPolarHBondContact O-CB 3.34Å; V835-M839 WeakPolarHBondContact O-CG 3.4Å; V835-M839 PolarHBondContact O-N 3.49Å
836	A	90.6	Very high	90.3	Very high	6 Å²	6	30.8 Å²	30.8	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-65.8	-42.6	177.4	0	0	0	0	0	112.6	I636 T793 S832 A833 L840	I636-A836 HydrophobicContact CD1-CB 3.92Å; I636-A836 HydrophobicContact CG1-CB 4.34Å; T793-A836 HydrophobicContact CG2-CB 4.11Å; S832-A836 PolarHBondContact O-N 3.04Å; A833-A836 PolarHBondContact O-N 3.31Å; A836-L840 HydrophobicContact CB-CD1 4.4Å; A836-L840 WeakPolarHBondContact O-CB 3.41Å; A836-L840 WeakPolarHBondContact O-CG 3.46Å; A836-L840 PolarHBondContact O-N 2.8Å
837	L	91.8	Very high	90	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-49.9	176.6	-168.1	68.5	0	0	0	111.4	A604 V608 L633 A833 S834 Y841 M842	A604-L837 HydrophobicContact CB-CD2 3.65Å; V608-L837 HydrophobicContact CB-CD1 4.14Å; V608-L837 HydrophobicContact CG1-CD1 4.24Å; V608-L837 HydrophobicContact CG2-CD1 3.93Å; V608-L837 HydrophobicContact CG2-CG 4.49Å; L633-L837 HydrophobicContact CD2-CD1 3.92Å; A833-L837 PolarHBondContact O-N 3.16Å; S834-L837 PolarHBondContact O-N 2.99Å; L837-Y841 HydrophobicContact CD1-CD2 4.47Å; L837-Y841 WeakPolarHBondContact O-CB 3.11Å; L837-Y841 PolarHBondContact O-N 3.01Å; L837-Y841 VanDerWaalsContact O-N 3.16Å; L837-M842 PolarHBondContact O-N 3.23Å
838	G	90.3	Very high	89.6	Confident	32 Å²	32	31.4 Å²	31.4	33%	0.33	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-52.6	-178.7	0	0	0	0	0	113.2	S834 M842 P843	S834-G838 PolarHBondContact O-N 2.71Å; G838-M842 WeakPolarHBondContact O-CB 3.32Å; G838-P843 WeakPolarHBondContact O-CD 3.25Å
839	M	88.8	Confident	89.3	Confident	66 Å²	66	34.2 Å²	34.2	33%	0.325	19%	0.186	S	C	.	.	H	α-helix	trans	-78.8	-31.4	-172.7	-64.2	-170.3	-177	0	0	113.8	F792 T793 T796 V835	F792-M839 HydrophobicContact CB-SD 3.83Å; T793-M839 WeakPolarHBondContact OG1-CB 3.46Å; T796-M839 HydrophobicContact CG2-CE 4.22Å; V835-M839 HydrophobicContact CG1-CE 4.24Å; V835-M839 HydrophobicContact CG1-SD 4.08Å; V835-M839 WeakPolarHBondContact O-CB 3.34Å; V835-M839 WeakPolarHBondContact O-CG 3.4Å; V835-M839 PolarHBondContact O-N 3.49Å
840	L	87.4	Confident	89	Confident	11 Å²	11	40.5 Å²	40.5	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-95	-29.6	-174.4	-57.4	173.5	0	0	0	114.6	L632 L673 P789 I790 T793 A836 K844	L632-L840 HydrophobicContact CD2-CD1 3.95Å; L673-L840 HydrophobicContact CD2-CD1 3.62Å; P789-L840 HydrophobicContact CB-CD2 4.42Å; I790-L840 HydrophobicContact CB-CD2 4.38Å; I790-L840 HydrophobicContact CG1-CD2 3.68Å; T793-L840 HydrophobicContact CG2-CD1 4.11Å; T793-L840 HydrophobicContact CG2-CG 4.18Å; T793-L840 VanDerWaalsContact OG1-CD2 3.23Å; T793-L840 WeakPolarHBondContact OG1-CD2 3.37Å; T793-L840 WeakPolarHBondContact OG1-CG 3.48Å; A836-L840 HydrophobicContact CB-CD1 4.4Å; A836-L840 WeakPolarHBondContact O-CB 3.41Å; A836-L840 WeakPolarHBondContact O-CG 3.46Å; A836-L840 PolarHBondContact O-N 2.8Å; L840-K844 WeakPolarHBondContact O-CD 3.39Å; L840-K844 VanDerWaalsContact O-CE 3.3Å; L840-K844 WeakPolarHBondContact O-CE 3.49Å; L840-K844 PolarHBondContact O-NZ 3.43Å
841	Y	89.4	Confident	88.4	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-40.3	-169	-69.3	-83.8	0	0	0	113.8	V608 F612 S629 L632 L633 I636 L837 K844 V845	V608-Y841 HydrophobicContact CG1-CD1 3.8Å; V608-Y841 HydrophobicContact CG1-CG 3.89Å; F612-Y841 HydrophobicContact CD1-CE1 4.42Å; F612-Y841 HydrophobicContact CE1-CD1 4.01Å; F612-Y841 AromaticContact CE1-CE1 3.82Å; F612-Y841 HydrophobicContact CE1-CE1 3.82Å; F612-Y841 AromaticContact CE2-CD1 3.9Å; F612-Y841 HydrophobicContact CE2-CD1 3.9Å; F612-Y841 HydrophobicContact CE2-CE1 4.5Å; F612-Y841 AromaticContact CZ-CD1 3.57Å; F612-Y841 HydrophobicContact CZ-CD1 3.57Å; F612-Y841 AromaticContact CZ-CE1 3.88Å; F612-Y841 HydrophobicContact CZ-CE1 3.88Å; S629-Y841 WeakPolarHBondContact CA-OH 3.25Å; S629-Y841 PolarHBondContact O-OH 3.34Å; S629-Y841 VanDerWaalsContact O-OH 3.06Å; L632-Y841 HydrophobicContact CD2-CE2 3.95Å; L632-Y841 WeakPolarHBondContact CD2-OH 3.4Å; L632-Y841 HydrophobicContact CG-CE2 4.19Å; L633-Y841 HydrophobicContact CD1-CD1 4.4Å; L633-Y841 HydrophobicContact CD1-CE1 3.9Å; L633-Y841 HydrophobicContact CD2-CD1 4.26Å; L633-Y841 HydrophobicContact CD2-CD2 4.07Å; L633-Y841 HydrophobicContact CD2-CE1 4.1Å; L633-Y841 HydrophobicContact CD2-CE2 3.88Å; L633-Y841 HydrophobicContact CD2-CG 4.25Å; L633-Y841 HydrophobicContact CG-CE1 3.97Å; L633-Y841 HydrophobicContact CG-CE2 4.21Å; I636-Y841 HydrophobicContact CD1-CE2 4.25Å; L837-Y841 HydrophobicContact CD1-CD2 4.47Å; L837-Y841 WeakPolarHBondContact O-CB 3.11Å; L837-Y841 PolarHBondContact O-N 3.01Å; L837-Y841 VanDerWaalsContact O-N 3.16Å; Y841-K844 WeakPolarHBondContact O-CA 3.44Å; Y841-K844 WeakPolarHBondContact O-CB 3.38Å; Y841-K844 PolarHBondContact O-N 3.14Å; Y841-V845 PolarHBondContact O-N 3.26Å
842	M	87.8	Confident	87.7	Confident	82 Å²	82	43.3 Å²	43.3	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-55.8	-43.1	179.5	-66.5	-64.1	-168.3	0	0	113.4	L837 G838 K844 V845 Y846	L837-M842 PolarHBondContact O-N 3.23Å; G838-M842 WeakPolarHBondContact O-CB 3.32Å; M842-K844 PolarHBondContact O-N 2.88Å; M842-V845 PolarHBondContact O-N 3.31Å; M842-Y846 WeakPolarHBondContact O-CB 3.31Å; M842-Y846 PolarHBondContact O-N 3.15Å
843	P	86	Confident	86.7	Confident	67 Å²	67	48.3 Å²	48.3	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-28.5	175.5	-24.8	35.1	0	0	0	113.9	G838 I847	G838-P843 WeakPolarHBondContact O-CD 3.25Å; P843-I847 WeakPolarHBondContact O-CD1 3.34Å; P843-I847 VanDerWaalsContact O-CG1 3.28Å; P843-I847 WeakPolarHBondContact O-CG1 3.41Å; P843-I847 PolarHBondContact O-N 3.2Å
844	K	86.3	Confident	85.6	Confident	32 Å²	32	53.1 Å²	53.1	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-81.7	-44.2	178.6	-63.4	173.3	-176.3	165.4	0	111.5	F612 I620 S624 E786 L840 Y841 M842 Y846 I847 I848	F612-K844 HydrophobicContact CE2-CB 4.47Å; F612-K844 HydrophobicContact CZ-CB 4.22Å; F612-K844 HydrophobicContact CZ-CD 4.05Å; I620-K844 HydrophobicContact CG2-CB 4.34Å; I620-K844 HydrophobicContact CG2-CG 4.38Å; S624-K844 PolarHBondContact OG-NZ 3.46Å; E786-K844 WeakPolarHBondContact OE1-CE 3.31Å; E786-K844 IonicContact OE1-NZ 3.31Å; E786-K844 PolarHBondContact OE1-NZ 3.32Å; L840-K844 WeakPolarHBondContact O-CD 3.39Å; L840-K844 VanDerWaalsContact O-CE 3.3Å; L840-K844 WeakPolarHBondContact O-CE 3.49Å; L840-K844 PolarHBondContact O-NZ 3.43Å; Y841-K844 WeakPolarHBondContact O-CA 3.44Å; Y841-K844 WeakPolarHBondContact O-CB 3.38Å; Y841-K844 PolarHBondContact O-N 3.14Å; M842-K844 PolarHBondContact O-N 2.88Å; K844-Y846 VanDerWaalsContact C-N 3.32Å; K844-I847 PolarHBondContact O-N 3.21Å; K844-I848 WeakPolarHBondContact O-CB 3.26Å; K844-I848 WeakPolarHBondContact O-CD1 3.27Å; K844-I848 WeakPolarHBondContact O-CG1 3.44Å; K844-I848 PolarHBondContact O-N 3.18Å
845	V	87.9	Confident	84.4	Confident	6 Å²	6	52 Å²	52	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-41.1	176.3	171.4	0	0	0	0	110.4	F607 V608 T611 F612 Y841 M842 I847 I848 I849	F607-V845 HydrophobicContact CE1-CG1 3.86Å; F607-V845 HydrophobicContact CZ-CG1 4.49Å; V608-V845 HydrophobicContact CG1-CG2 4.18Å; V608-V845 HydrophobicContact CG2-CG2 4.17Å; T611-V845 HydrophobicContact CG2-CG1 4.33Å; T611-V845 HydrophobicContact CG2-CG2 4.41Å; F612-V845 HydrophobicContact CD2-CG2 4.26Å; F612-V845 HydrophobicContact CE2-CG2 3.86Å; Y841-V845 PolarHBondContact O-N 3.26Å; M842-V845 PolarHBondContact O-N 3.31Å; V845-I847 PolarHBondContact O-N 2.89Å; V845-I848 PolarHBondContact O-N 3.2Å; V845-I849 HydrophobicContact CG1-CD1 3.64Å; V845-I849 HydrophobicContact CG1-CG1 4.35Å; V845-I849 WeakPolarHBondContact O-CB 3.41Å; V845-I849 WeakPolarHBondContact O-CG1 3.29Å; V845-I849 PolarHBondContact O-N 2.89Å
846	Y	86.4	Confident	83.3	Confident	121 Å²	121	55.4 Å²	55.4	48%	0.475	29%	0.29	S	S	.	.	H	α-helix	trans	-55.4	-49.7	172.9	-179	-96.8	0	0	0	111.8	M842 K844 I849 F850 H851	M842-Y846 WeakPolarHBondContact O-CB 3.31Å; M842-Y846 PolarHBondContact O-N 3.15Å; K844-Y846 VanDerWaalsContact C-N 3.32Å; Y846-I849 PolarHBondContact O-N 2.75Å; Y846-F850 HydrophobicContact CD2-CB 4.5Å; Y846-F850 AromaticContact CD2-CD2 3.59Å; Y846-F850 HydrophobicContact CD2-CD2 3.59Å; Y846-F850 HydrophobicContact CD2-CE2 4.19Å; Y846-F850 HydrophobicContact CD2-CG 4.32Å; Y846-F850 HydrophobicContact CE2-CB 4.18Å; Y846-F850 AromaticContact CE2-CD2 3.82Å; Y846-F850 HydrophobicContact CE2-CD2 3.82Å; Y846-F850 HydrophobicContact CE2-CG 4.13Å; Y846-F850 HydrophobicContact CG-CD2 4.32Å; Y846-F850 WeakPolarHBondContact O-CB 3.19Å; Y846-F850 PolarHBondContact O-N 3.14Å; Y846-H851 AromaticContact CE1-CD2 3.3Å; Y846-H851 WeakPolarHBondContact CE1-CD2 3.48Å; Y846-H851 AromaticContact CE1-NE2 3.55Å; Y846-H851 AromaticContact CZ-CD2 3.75Å; Y846-H851 AromaticContact CZ-NE2 3.66Å; Y846-H851 PolarHBondContact OH-NE2 3.02Å; Y846-H851 VanDerWaalsContact OH-NE2 3.11Å
847	I	83.4	Confident	81.6	Confident	54 Å²	54	63.4 Å²	63.4	28%	0.277	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177.7	-64.2	166.5	0	0	0	111.8	I620 P843 K844 V845 I849 H851 L854	I620-I847 HydrophobicContact CD1-CB 4.32Å; I620-I847 HydrophobicContact CD1-CG2 3.52Å; P843-I847 WeakPolarHBondContact O-CD1 3.34Å; P843-I847 VanDerWaalsContact O-CG1 3.28Å; P843-I847 WeakPolarHBondContact O-CG1 3.41Å; P843-I847 PolarHBondContact O-N 3.2Å; K844-I847 PolarHBondContact O-N 3.21Å; V845-I847 PolarHBondContact O-N 2.89Å; I847-I849 VanDerWaalsContact C-N 3.31Å; I847-I849 PolarHBondContact O-N 3.47Å; I847-H851 HydrophobicContact CG2-CB 4.38Å; I847-H851 CarbonylContact O-C 3.59Å; I847-H851 WeakPolarHBondContact O-CA 3.36Å; I847-H851 PolarHBondContact O-N 2.96Å; I847-H851 VanDerWaalsContact O-N 3.14Å; I847-H851 VanDerWaalsContact O-O 3.09Å; I847-L854 HydrophobicContact CG2-CB 3.91Å; I847-L854 HydrophobicContact CG2-CD1 4.4Å
848	I	85.1	Confident	79.8	Confident	7 Å²	7	72.4 Å²	72.4	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-33.8	-179.2	-71.9	163.5	0	0	0	112.2	T611 F612 Y615 I620 V621 K844 V845	T611-I848 HydrophobicContact CG2-CG2 4.02Å; F612-I848 HydrophobicContact CE2-CD1 4.36Å; Y615-I848 HydrophobicContact CD1-CG2 4.49Å; Y615-I848 HydrophobicContact CD2-CG2 3.65Å; Y615-I848 HydrophobicContact CE2-CG2 4.21Å; Y615-I848 HydrophobicContact CG-CG2 3.81Å; I620-I848 HydrophobicContact CD1-CG1 4.38Å; I620-I848 HydrophobicContact CG2-CD1 4.2Å; I620-I848 HydrophobicContact CG2-CG1 4.41Å; V621-I848 HydrophobicContact CG2-CD1 3.74Å; K844-I848 WeakPolarHBondContact O-CB 3.26Å; K844-I848 WeakPolarHBondContact O-CD1 3.27Å; K844-I848 WeakPolarHBondContact O-CG1 3.44Å; K844-I848 PolarHBondContact O-N 3.18Å; V845-I848 PolarHBondContact O-N 3.2Å
849	I	84.8	Confident	77.2	Confident	68 Å²	68	82.6 Å²	82.6	35%	0.349	39%	0.393	S	S	.	.	H	α-helix	trans	-93.9	-49.8	-176.6	-64.4	178.3	0	0	0	112.2	F607 T611 V845 Y846 I847	F607-I849 HydrophobicContact CE1-CD1 4.34Å; F607-I849 HydrophobicContact CZ-CD1 3.74Å; T611-I849 HydrophobicContact CG2-CD1 4.26Å; T611-I849 HydrophobicContact CG2-CG1 4.33Å; V845-I849 HydrophobicContact CG1-CD1 3.64Å; V845-I849 HydrophobicContact CG1-CG1 4.35Å; V845-I849 WeakPolarHBondContact O-CB 3.41Å; V845-I849 WeakPolarHBondContact O-CG1 3.29Å; V845-I849 PolarHBondContact O-N 2.89Å; Y846-I849 PolarHBondContact O-N 2.75Å; I847-I849 VanDerWaalsContact C-N 3.31Å; I847-I849 PolarHBondContact O-N 3.47Å
850	F	84.8	Confident	74.9	Confident	135 Å²	135	89.2 Å²	89.2	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-97.6	-18.8	-170.4	-62	-79.9	0	0	0	114.3	Y846 P852	Y846-F850 HydrophobicContact CD2-CB 4.5Å; Y846-F850 AromaticContact CD2-CD2 3.59Å; Y846-F850 HydrophobicContact CD2-CD2 3.59Å; Y846-F850 HydrophobicContact CD2-CE2 4.19Å; Y846-F850 HydrophobicContact CD2-CG 4.32Å; Y846-F850 HydrophobicContact CE2-CB 4.18Å; Y846-F850 AromaticContact CE2-CD2 3.82Å; Y846-F850 HydrophobicContact CE2-CD2 3.82Å; Y846-F850 HydrophobicContact CE2-CG 4.13Å; Y846-F850 HydrophobicContact CG-CD2 4.32Å; Y846-F850 WeakPolarHBondContact O-CB 3.19Å; Y846-F850 PolarHBondContact O-N 3.14Å; F850-P852 VanDerWaalsContact C-CD 3.47Å
851	H	81.4	Confident	72.5	Confident	58 Å²	58	100.2 Å²	100.2	27%	0.269	46%	0.461	S	S	.	.			trans	-131.3	57.4	-178.1	-69.3	-77.1	0	0	0	113.4	Y846 I847 E853 L854	Y846-H851 AromaticContact CE1-CD2 3.3Å; Y846-H851 WeakPolarHBondContact CE1-CD2 3.48Å; Y846-H851 AromaticContact CE1-NE2 3.55Å; Y846-H851 AromaticContact CZ-CD2 3.75Å; Y846-H851 AromaticContact CZ-NE2 3.66Å; Y846-H851 PolarHBondContact OH-NE2 3.02Å; Y846-H851 VanDerWaalsContact OH-NE2 3.11Å; I847-H851 HydrophobicContact CG2-CB 4.38Å; I847-H851 CarbonylContact O-C 3.59Å; I847-H851 WeakPolarHBondContact O-CA 3.36Å; I847-H851 PolarHBondContact O-N 2.96Å; I847-H851 VanDerWaalsContact O-N 3.14Å; I847-H851 VanDerWaalsContact O-O 3.09Å; H851-E853 WeakPolarHBondContact CA-OE2 3.48Å; H851-E853 WeakPolarHBondContact CB-OE1 3.37Å; H851-E853 IonicContact CG-OE1 2.71Å; H851-E853 IonicContact ND1-OE1 3.87Å; H851-E853 PolarHBondContact ND1-OE1 3.18Å; H851-E853 PolarHBondContact O-N 3.48Å; H851-E853 VanDerWaalsContact O-N 3.14Å; H851-L854 HydrophobicContact CB-CD1 3.9Å; H851-L854 HydrophobicContact CB-CG 4.18Å; H851-L854 PolarHBondContact O-N 3.35Å
852	P	77	Confident	70.1	Confident	78 Å²	78	103.6 Å²	103.6	51%	0.506	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-59.9	-23.4	-178.6	27.4	-36.1	0	0	0	113.6	F850 L854 N855	F850-P852 VanDerWaalsContact C-CD 3.47Å; P852-L854 PolarHBondContact O-N 3.16Å; P852-N855 VanDerWaalsContact O-CB 3.22Å; P852-N855 WeakPolarHBondContact O-CB 3.5Å; P852-N855 PolarHBondContact O-N 2.85Å
853	E	72.6	Confident	68.2	Low	109 Å²	109	108.2 Å²	108.2	51%	0.509	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.3	174.2	73.8	-71.3	170.9	0	0	113.4	H851 N855	H851-E853 WeakPolarHBondContact CA-OE2 3.48Å; H851-E853 WeakPolarHBondContact CB-OE1 3.37Å; H851-E853 IonicContact CG-OE1 2.71Å; H851-E853 IonicContact ND1-OE1 3.87Å; H851-E853 PolarHBondContact ND1-OE1 3.18Å; H851-E853 PolarHBondContact O-N 3.48Å; H851-E853 VanDerWaalsContact O-N 3.14Å; E853-N855 VanDerWaalsContact C-N 3.3Å
854	L	67.9	Low	66.2	Low	106 Å²	106	113.2 Å²	113.2	56%	0.555	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-81.8	-9.4	174.5	-60.2	179.8	0	0	0	112.7	I847 H851 P852 V856	I847-L854 HydrophobicContact CG2-CB 3.91Å; I847-L854 HydrophobicContact CG2-CD1 4.4Å; H851-L854 HydrophobicContact CB-CD1 3.9Å; H851-L854 HydrophobicContact CB-CG 4.18Å; H851-L854 PolarHBondContact O-N 3.35Å; P852-L854 PolarHBondContact O-N 3.16Å; L854-V856 VanDerWaalsContact C-N 3.26Å; L854-V856 PolarHBondContact O-N 2.71Å
855	N	68.9	Low	64.3	Low	24 Å²	24	114.6 Å²	114.6	13%	0.128	54%	0.535	C	S	.	.			trans	-89.4	28.2	-173.9	-155.4	2.4	0	0	0	113.3	T618 P619 I620 P852 E853	T618-N855 WeakPolarHBondContact CG2-ND2 3.35Å; P619-N855 WeakPolarHBondContact CD-O 3.25Å; P619-N855 WeakPolarHBondContact CD-OD1 3.28Å; P619-N855 WeakPolarHBondContact CG-O 3.44Å; I620-N855 HydrophobicContact CD1-CB 4.13Å; I620-N855 WeakPolarHBondContact CD1-OD1 3.48Å; I620-N855 WeakPolarHBondContact CG1-OD1 3.49Å; P852-N855 VanDerWaalsContact O-CB 3.22Å; P852-N855 WeakPolarHBondContact O-CB 3.5Å; P852-N855 PolarHBondContact O-N 2.85Å; E853-N855 VanDerWaalsContact C-N 3.3Å
856	V	69.9	Low	62.5	Low	96 Å²	96	118.8 Å²	118.8	58%	0.582	56%	0.561	S	S	*	*	S	Bend	trans	-104.6	146	-177.4	-63.5	0	0	0	0	113.1	L854 K858	L854-V856 VanDerWaalsContact C-N 3.26Å; L854-V856 PolarHBondContact O-N 2.71Å; V856-K858 PolarHBondContact O-N 3.24Å
857	Q	56.7	Low	60.9	Low	173 Å²	173	117 Å²	117	81%	0.808	56%	0.562	S	S	*	*			trans	-78.4	92.8	-175.4	-166.9	179.9	53.5	0	0	111.7	R859	Q857-R859 PolarHBondContact O-N 3.47Å
858	K	53.1	Low	59.2	Low	194 Å²	194	118.4 Å²	118.4	84%	0.843	57%	0.573	S	S	*	*			trans	-54	112.2	176.6	-69.7	-172.9	178.2	-178.3	0	111.3	V856 K860	V856-K858 PolarHBondContact O-N 3.24Å; K858-K860 PolarHBondContact O-N 2.79Å
859	R	35.6	Very low	57.6	Low	247 Å²	247	121.1 Å²	121.1	93%	0.932	60%	0.597	S	S	*	*			trans	-57.5	118.8	179.5	-109.6	-179	-177.4	175.5	2.9	110.3	Q857 R861	Q857-R859 PolarHBondContact O-N 3.47Å; R859-R861 PolarHBondContact O-N 3.36Å
860	K	40.7	Very low	55.8	Low	205 Å²	205	121.2 Å²	121.2	89%	0.891	61%	0.608	S	S	*	*			trans	-65.7	115.5	174.7	-67.6	-178.2	178.4	-180	0	110	K858 S862	K858-K860 PolarHBondContact O-N 2.79Å; K860-S862 PolarHBondContact O-N 3.16Å
861	R	37.7	Very low	54.1	Low	242 Å²	242	119.5 Å²	119.5	91%	0.913	61%	0.609	S	S	*	*			trans	-61	121.5	158.1	-84.5	-175.3	170.5	175.4	-2.7	107.5	R859 F863	R859-R861 PolarHBondContact O-N 3.36Å; R861-F863 PolarHBondContact O-N 3.4Å
862	S	38.7	Very low	52.4	Low	72 Å²	72	124 Å²	124	50%	0.503	63%	0.632	S	S	.	*			trans	-69.2	129.8	-176	-177	0	0	0	0	110.7	K860 K864 A865	K860-S862 PolarHBondContact O-N 3.16Å; S862-K864 PolarHBondContact O-N 3.12Å; S862-K864 VanDerWaalsContact O-N 3.14Å; S862-A865 WeakPolarHBondContact O-CB 3.47Å; S862-A865 PolarHBondContact O-N 3.45Å
863	F	48.5	Very low	50.9	Low	178 Å²	178	125.3 Å²	125.3	78%	0.781	64%	0.642	S	S	*	*	H	α-helix	trans	-59.5	-27.2	-179.1	-144.3	-97.7	0	0	0	112.4	R861 A865 V866 V867	R861-F863 PolarHBondContact O-N 3.4Å; F863-A865 VanDerWaalsContact C-N 3.3Å; F863-A865 PolarHBondContact O-N 2.74Å; F863-V866 PolarHBondContact O-N 3.5Å; F863-V867 PolarHBondContact O-N 3.41Å
864	K	43.9	Very low	49.4	Very low	173 Å²	173	124.5 Å²	124.5	75%	0.752	65%	0.649	S	S	*	*	H	α-helix	trans	-55.8	-40.4	171.4	-96	-172.3	171.2	-174.7	0	112.8	S862 V866 V867 T868	S862-K864 PolarHBondContact O-N 3.12Å; S862-K864 VanDerWaalsContact O-N 3.14Å; K864-V866 PolarHBondContact O-N 2.86Å; K864-V867 PolarHBondContact O-N 2.84Å; K864-T868 PolarHBondContact O-N 3.26Å; K864-T868 VanDerWaalsContact O-N 3.12Å; K864-T868 PolarHBondContact O-OG1 3.19Å
865	A	45.4	Very low	48.3	Very low	61 Å²	61	130.1 Å²	130.1	50%	0.504	66%	0.663	S	S	.	*	H	α-helix	trans	-68.8	-33.6	-174.7	0	0	0	0	0	112.8	S862 F863 A869	S862-A865 WeakPolarHBondContact O-CB 3.47Å; S862-A865 PolarHBondContact O-N 3.45Å; F863-A865 VanDerWaalsContact C-N 3.3Å; F863-A865 PolarHBondContact O-N 2.74Å; A865-A869 WeakPolarHBondContact O-CB 3.45Å; A865-A869 PolarHBondContact O-N 3.04Å
866	V	50.3	Low	46.9	Very low	94 Å²	94	137 Å²	137	57%	0.57	70%	0.699	S	S	*	*	H	α-helix	trans	-68.5	-41	178	-177.7	0	0	0	0	110.8	F863 K864 A869 A870	F863-V866 PolarHBondContact O-N 3.5Å; K864-V866 PolarHBondContact O-N 2.86Å; V866-A869 PolarHBondContact O-N 3.38Å; V866-A870 WeakPolarHBondContact O-CB 3.42Å; V866-A870 PolarHBondContact O-N 3.45Å
867	V	52.8	Low	45	Very low	82 Å²	82	137.7 Å²	137.7	50%	0.497	71%	0.708	S	S	.	*	H	α-helix	trans	-65.2	-46.8	176.7	-179	0	0	0	0	110.8	F863 K864 A869 A870 T871	F863-V867 PolarHBondContact O-N 3.41Å; K864-V867 PolarHBondContact O-N 2.84Å; V867-A869 VanDerWaalsContact C-N 3.33Å; V867-A869 PolarHBondContact O-N 3.01Å; V867-A870 PolarHBondContact O-N 3.37Å; V867-T871 PolarHBondContact O-N 3.34Å; V867-T871 PolarHBondContact O-OG1 2.98Å
868	T	48.2	Very low	43.9	Very low	84 Å²	84	138.2 Å²	138.2	52%	0.515	71%	0.71	S	S	.	*	H	α-helix	trans	-61.2	-39.2	177.6	-54.1	0	0	0	0	112.6	K864 T871 M872	K864-T868 PolarHBondContact O-N 3.26Å; K864-T868 VanDerWaalsContact O-N 3.12Å; K864-T868 PolarHBondContact O-OG1 3.19Å; T868-T871 PolarHBondContact O-N 3.2Å; T868-M872 WeakPolarHBondContact O-CG 3.17Å; T868-M872 PolarHBondContact O-N 3.43Å
869	A	50.1	Low	42.7	Very low	64 Å²	64	138.2 Å²	138.2	53%	0.529	71%	0.71	S	S	.	*	H	α-helix	trans	-64.3	-42.9	174.3	0	0	0	0	0	112.2	A865 V866 V867 T871 M872 S873	A865-A869 WeakPolarHBondContact O-CB 3.45Å; A865-A869 PolarHBondContact O-N 3.04Å; V866-A869 PolarHBondContact O-N 3.38Å; V867-A869 VanDerWaalsContact C-N 3.33Å; V867-A869 PolarHBondContact O-N 3.01Å; A869-T871 VanDerWaalsContact C-N 3.33Å; A869-T871 PolarHBondContact O-N 3Å; A869-M872 PolarHBondContact O-N 3.18Å; A869-S873 PolarHBondContact O-N 3.24Å
870	A	48.1	Very low	43	Very low	70 Å²	70	131.6 Å²	131.6	58%	0.579	70%	0.699	S	S	*	*	H	α-helix	trans	-64.8	-33.7	177.3	0	0	0	0	0	113	V866 V867	V866-A870 WeakPolarHBondContact O-CB 3.42Å; V866-A870 PolarHBondContact O-N 3.45Å; V867-A870 PolarHBondContact O-N 3.37Å
871	T	48.2	Very low	42.4	Very low	100 Å²	100	126.9 Å²	126.9	61%	0.613	69%	0.692	S	S	*	*	H	α-helix	trans	-75.4	-28.1	177.3	-45.8	0	0	0	0	113.2	V867 T868 A869 S874	V867-T871 PolarHBondContact O-N 3.34Å; V867-T871 PolarHBondContact O-OG1 2.98Å; T868-T871 PolarHBondContact O-N 3.2Å; A869-T871 VanDerWaalsContact C-N 3.33Å; A869-T871 PolarHBondContact O-N 3Å; T871-S874 PolarHBondContact O-OG 3.42Å
872	M	47.1	Very low	42	Very low	152 Å²	152	122.9 Å²	122.9	75%	0.749	69%	0.689	S	S	*	*	H	α-helix	trans	-75.3	-25.9	177.3	-75.3	-75.2	-175.8	0	0	113.4	T868 A869 S874	T868-M872 WeakPolarHBondContact O-CG 3.17Å; T868-M872 PolarHBondContact O-N 3.43Å; A869-M872 PolarHBondContact O-N 3.18Å; M872-S874 VanDerWaalsContact C-N 3.28Å; M872-S874 PolarHBondContact O-N 3.4Å
873	S	44.4	Very low	41.6	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	8.9	-171.6	-164.6	0	0	0	0	115.6	A869	A869-S873 PolarHBondContact O-N 3.24Å
874	S	41.9	Very low	41.5	Very low	93 Å²	93	127 Å²	127	65%	0.65	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	5.9	-174.8	63.3	0	0	0	0	115	T871 M872	T871-S874 PolarHBondContact O-OG 3.42Å; M872-S874 VanDerWaalsContact C-N 3.28Å; M872-S874 PolarHBondContact O-N 3.4Å
875	R	45.3	Very low	40.6	Very low	224 Å²	224	126.6 Å²	126.6	85%	0.845	71%	0.707	S	S	*	*	S	Bend	trans	-138.7	70.2	179.3	-71.8	-171.3	173.1	-168.1	-1.7	112.7
876	L	37.9	Very low	40	Very low	168 Å²	168	127.1 Å²	127.1	88%	0.88	72%	0.718	S	S	*	*			trans	165.6	132.9	161.5	-92.7	155.6	0	0	0	106.4
877	S	30.7	Very low	39	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	73%	0.734	S	S	*	*			cis	-151.7	179.8	-10.5	-161.9	0	0	0	0	109.9
878	H	32.9	Very low	37.9	Very low	185 Å²	185	132 Å²	132	86%	0.856	74%	0.743	S	S	*	*			trans	-76.1	162.3	176.3	-95.7	-128.4	0	0	0	114.3
879	K	28.4	Very low	36.8	Very low	193 Å²	193	137 Å²	137	84%	0.839	76%	0.758	S	S	*	*			trans	-46	171.8	162.7	-97.8	-174	174.9	-175.2	0	115.1
880	P	42.8	Very low	36.1	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	77%	0.771	S	S	*	*			cis	-140.9	180	-16.4	37.1	-17.9	0	0	0	116.5
881	S	28.2	Very low	35.2	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	79%	0.785	S	S	*	*			trans	63.9	132.7	158.9	-108.6	0	0	0	0	118.6
882	D	28.8	Very low	34.4	Very low	159 Å²	159	147.8 Å²	147.8	85%	0.85	79%	0.791	S	S	*	*			cis	-153.7	-164.4	44.2	-107.3	-13	0	0	0	115
883	R	29.4	Very low	33.5	Very low	237 Å²	237	146 Å²	146	89%	0.894	79%	0.793	S	S	*	*			trans	-104.6	179.2	-172.3	-103.7	177	179	176.2	-1.4	112.4
884	P	46.4	Very low	33	Very low	98 Å²	98	147.9 Å²	147.9	64%	0.636	79%	0.79	S	S	*	*			cis	-140	-172.9	-11.6	36.1	-14.5	0	0	0	116.9
885	N	26.5	Very low	32.6	Very low	166 Å²	166	149.6 Å²	149.6	89%	0.888	79%	0.792	S	S	*	*			trans	79.8	152	148.2	-72.1	0.3	0	0	0	123.7
886	G	31.1	Very low	31.9	Very low	71 Å²	71	145.1 Å²	145.1	73%	0.732	79%	0.789	S	S	*	*			trans	106	86.3	-178	0	0	0	0	0	112.5
887	E	30.6	Very low	31.5	Very low	195 Å²	195	144.2 Å²	144.2	91%	0.911	79%	0.785	S	S	*	*				56.8	134.5	70.2	-74.6	-156.7	137.8	0	0	115.2
888	A	28.2	Very low	32.8	Very low	83 Å²	83	144 Å²	144	69%	0.686	78%	0.781	S	S	*	*			cis	-149.2	155.7	9.3	0	0	0	0	0	115.5
889	K	26	Very low	32.5	Very low	190 Å²	190	142.2 Å²	142.2	83%	0.826	78%	0.778	S	S	*	*			trans	49.5	111.2	147.9	-68.3	-178	177.8	-171.7	0	122
890	T	35	Very low	32.7	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	77%	0.771	S	S	*	*			trans	-77.4	158.9	138.9	48.5	0	0	0	0	111.7
891	E	29.4	Very low	32	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	78%	0.776	S	S	*	*			trans	-129.4	153.3	152.8	-81.4	-169.9	171	0	0	111
892	L	31.4	Very low	32.1	Very low	144 Å²	144	142.3 Å²	142.3	75%	0.754	78%	0.779	S	S	*	*			trans	-163.1	134.8	-168.1	172	139	0	0	0	110.5	E894	L892-E894 HydrophobicContact CD2-CG 4.42Å
893	C	28.9	Very low	33	Very low	115 Å²	115	140 Å²	140	78%	0.777	77%	0.773	S	S	*	*			trans	-141.3	145	162.3	-66	0	0	0	0	108
894	E	32.6	Very low	33.7	Very low	144 Å²	144	134.2 Å²	134.2	67%	0.673	77%	0.766	S	S	*	*			cis	74.9	144.3	36.5	-62.5	-159.9	116.4	0	0	113.9	L892	L892-E894 HydrophobicContact CD2-CG 4.42Å
895	N	34	Very low	32.9	Very low	129 Å²	129	136 Å²	136	69%	0.69	78%	0.775	S	S	*	*			cis	-158.6	-172.9	-12.5	-95.2	-17.4	0	0	0	107.1
896	V	31.8	Very low	32.9	Very low	129 Å²	129	139.2 Å²	139.2	78%	0.782	78%	0.775	S	S	*	*			cis	-155.4	179	12.8	82.9	0	0	0	0	110.5
897	D	29	Very low	32.6	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	78%	0.781	S	S	*	*			trans	-94.3	-117.4	-174.7	-71	-81.2	0	0	0	117.8
898	P	56.5	Low	32.4	Very low	107 Å²	107	141 Å²	141	70%	0.695	77%	0.772	S	S	*	*				-136.6	-173.5	-112	40.7	-22.3	0	0	0	118.1
899	N	28.6	Very low	32.3	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	78%	0.778	S	S	*	*			trans	-162.3	120.2	140.8	-94.8	-49.7	0	0	0	110.3
900	N	32	Very low	32.3	Very low	132 Å²	132	142.6 Å²	142.6	71%	0.706	78%	0.777	S	S	*	*				69.2	137.9	83	-94.6	-25.5	0	0	0	115.1
901	C	27.2	Very low	31.8	Very low	119 Å²	119	146 Å²	146	80%	0.804	78%	0.781	S	S	*	*			cis	-134.6	-167.3	21.6	-91.6	0	0	0	0	114.5
902	I	31.2	Very low	31.6	Very low	157 Å²	157	142 Å²	142	81%	0.805	77%	0.774	S	S	*	*			trans	-114.8	175	-154.5	8.7	179.5	0	0	0	115.3
903	P	47.3	Very low	31.3	Very low	110 Å²	110	141 Å²	141	71%	0.714	77%	0.773	S	S	*	*			trans	-113.7	-161.8	-148.2	40.1	-20.9	0	0	0	113.9
904	P	44.7	Very low	31.1	Very low	117 Å²	117	141.7 Å²	141.7	76%	0.76	77%	0.774	S	S	*	*				-157.6	-175	107.3	44.2	-25.5	0	0	0	118.4
905	V	29.4	Very low	30.8	Very low	134 Å²	134	145.7 Å²	145.7	81%	0.812	78%	0.783	S	S	*	*			trans	48.9	96	161.7	-156.8	0	0	0	0	123.2
906	R	26.3	Very low	30.3	Very low	234 Å²	234	149.9 Å²	149.9	88%	0.883	79%	0.791	S	S	*	*			trans	0.4	136.2	142.4	-71.7	176.3	166.2	173	-4	121.4
907	K	25.2	Very low	30	Very low	200 Å²	200	149.9 Å²	149.9	87%	0.87	79%	0.791	S	S	*	*				-165.8	158.1	98.1	-110.8	178.9	-178.8	177.7	0	115.1
908	S	24.9	Very low	30.1	Very low	104 Å²	104	150 Å²	150	73%	0.727	79%	0.79	S	S	*	*			trans	47.3	112.5	159.1	50.6	0	0	0	0	122.8
909	V	27.3	Very low	28.7	Very low	131 Å²	131	149.8 Å²	149.8	79%	0.794	79%	0.789	S	S	*	*				40.8	110	126.8	-171.8	0	0	0	0	119.5
910	Q	25.9	Very low	29.1	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	79%	0.789	S	S	*	*				-160.7	146.4	110.4	-158.8	92.5	-29.8	0	0	108.4
911	K	24.6	Very low	28.9	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	80%	0.795	S	S	*	*			trans	-114.8	106	163.7	-88.8	-167.8	175.2	-173.5	0	109.1
912	S	24.9	Very low	29.3	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	82%	0.82	S	S	*	*			trans	-88.2	141.5	156.1	42.1	0	0	0	0	109.1
913	V	24.9	Very low	29.2	Very low	123 Å²	123	153.3 Å²	153.3	75%	0.745	82%	0.82	S	S	*	*			trans	-118.2	111	167.3	174.3	0	0	0	0	106
914	T	24.6	Very low	28.2	Very low	129 Å²	129	155.6 Å²	155.6	79%	0.791	83%	0.826	S	S	*	*			trans	-120.3	139.2	173.4	-18.5	0	0	0	0	108.6
915	W	25.6	Very low	27.3	Very low	227 Å²	227	157.7 Å²	157.7	86%	0.86	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78.7	158.7	-159.5	-73.2	75.1	0	0	0	113.9	T917	W915-T917 PolarHBondContact O-N 3.38Å
916	Y	24.6	Very low	27.2	Very low	217 Å²	217	159.1 Å²	159.1	85%	0.851	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-62.9	129.5	162.6	-79.5	-101.5	0	0	0	110
917	T	25.7	Very low	27.3	Very low	130 Å²	130	154.4 Å²	154.4	80%	0.798	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-100.7	122.6	159.5	-44.6	0	0	0	0	107.7	W915 P919	W915-T917 PolarHBondContact O-N 3.38Å; T917-P919 WeakPolarHBondContact O-CD 3.42Å
918	I	30.7	Very low	27.4	Very low	151 Å²	151	151.4 Å²	151.4	77%	0.774	83%	0.825	S	S	*	*			trans	-100.9	109.6	170.9	-62.6	175.5	0	0	0	107.4
919	P	26.9	Very low	27.6	Very low	103 Å²	103	154.8 Å²	154.8	67%	0.669	83%	0.832	S	S	*	*			trans	-76.3	160.1	167.6	32.6	-33.1	0	0	0	111.1	T917	T917-P919 WeakPolarHBondContact O-CD 3.42Å
920	P	37	Very low	27.6	Very low	120 Å²	120	156.6 Å²	156.6	78%	0.779	84%	0.835	S	S	*	*			trans	-101.8	166.8	-159.2	39.2	-36.8	0	0	0	114.7
921	T	27.5	Very low	27.7	Very low	136 Å²	136	155.1 Å²	155.1	83%	0.834	84%	0.836	S	S	*	*			trans	-150.3	129.6	154.8	13.3	0	0	0	0	111.4
922	V	35.7	Very low	28	Very low	219 Å²	219	150.7 Å²	150.7	100%	1.327	83%	0.832	S	S	*	*			trans	47.1	0	160	-165.1	0	0	0	0	116.8

Retrieved 922 of 922 residues in 167.2 ms (Link to these results)

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